SCHEMBL5349302

SCHEMBL5349302

CC(NC(C)c1ccccn1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNA5 P22460 6/20 0.47
KCNE1 P15382 2/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
EGFR P00533 1/20 0.43
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12259279 0.91 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL12258694 0.91 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL13075728 0.91 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL28544725 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL17530034 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL28544726 0.90 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL27284225 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL21836246 0.85 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNA5TSHR
SCHEMBL21836248 0.85 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNA5TSHR
SCHEMBL125581 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNA5KCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203315-A1 Process for converting alcohols to carbonyl compounds CIBA SPECIALTY CHEMICALS CORP. 2005-09-15 US claimed
EP-1492753-A1 PROCESS FOR CONVERTING ALCOHOLS TO CARBONYL COMPOUNDS Ciba SC Holding AG (CH) 2005-01-05 EP claimed
WO-2003084911-A1 PROCESS FOR CONVERTING ALCOHOLS TO CARBONYL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-10-16 WO claimed
US-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed
US-10180427-B2 Grafted dinuclear metal complexes, and use thereof as cellular microparticle sensors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-01-15 US disclosed
EP-2688880-B1 GRAFTED DINUCLEAR METAL COMPLEXES, AND USE THEREOF AS CELLULAR MICROPARTICLE SENSORS CENTRE NAT RECH SCIENT (FR) 2018-12-12 EP disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160370360-A1 GRAFTED DINUCLEAR METAL COMPLEXES, AND USE THEREOF AS CELLULAR MICROPARTICLE SENSORS UNIVERSITE GRENOBLE ALPES (FR) 2016-12-22 US disclosed
EP-1492753-A1 PROCESS FOR CONVERTING ALCOHOLS TO CARBONYL COMPOUNDS Ciba SC Holding AG (CH) 2005-01-05 EP disclosed
US-20040267057-A1 Method for producing phenol condensate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-30 US disclosed
EP-1029882-B1 A crystallizable poly(2,5-di-substituted-1, 4-phenylene oxide) and a method of preparing the same NAT INST OF ADVANCED IND SCIEN (JP) 2004-05-12 EP disclosed
WO-2003084911-A1 PROCESS FOR CONVERTING ALCOHOLS TO CARBONYL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-10-16 WO disclosed
US-6541596-B1 Subjecting a 2,5-di- substituted phenol to oxidative polymerization in the presence of oxygen and a copper complex catalyst composed of tridentate ligand of which nitrogen atoms are coordiante to a copper atom SECRETARY OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY 2003-04-01 US disclosed
US-20020183475-A1 Crystallizable poly (2,5-di-substituted-1,4-phenylene oxide) and a method of preparing the same SECRETARY OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY 2002-12-05 US disclosed
US-6383636-B2 MOLDING MATERIALS; IMPACT STRENGTH, HEAT RESISTANCE, SOLVENT RESISTANCE DIRECTOR-GENERAL OF NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY, MINISTRY OF ECONOMY, TRADE AND INDUSTRY (JP) 2002-05-07 US disclosed
US-20020007020-A1 (2,5-disubstituted-1,4-phenylene oxide) block or graft copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-17 US disclosed
EP-1029882-A2 A crystallizable poly(2,5-di-substituted-1, 4-phenylene oxide) and a method of preparing the same Secretary of Agency of Industrial Science and Technology (JP) 2000-08-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10180427-B2 Grafted dinuclear metal complexes, and use thereof as cellular microparticle sensors PICALM, CD63, CHMP4B SLC6A2 3557/4885SLC6A4 3668/4885SLC6A3 2740/4885
US-20160370360-A1 GRAFTED DINUCLEAR METAL COMPLEXES, AND USE THEREOF AS CELLULAR MICROPARTICLE SENSORS PICALM, CD63, CHMP4B SLC6A2 3557/4885SLC6A4 3668/4885SLC6A3 2740/4885
US-20040267057-A1 Method for producing phenol condensate SOD1, MLX, XDH SLC6A2 1926/4885SLC6A4 3579/4885SLC6A3 2012/4885
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 SLC6A2 2951/4885SLC6A4 2309/4885SLC6A3 2175/4885
US-20050203315-A1 Process for converting alcohols to carbonyl compounds ADH1C, ADH1A, AOC2 SLC6A2 1025/4885SLC6A4 2864/4885SLC6A3 588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.