SCHEMBL276444

SCHEMBL276444

c1ccc2c(c1)ccc1cn[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
NOS1 P29475 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
PARP1 P09874 1/20 0.53
PRKCI P41743 1/20 0.53
PDE4B Q07343 1/20 0.53
HSP90AA1 P07900 1/20 0.50
IDO1 P14902 1/20 0.50
CDK2 P24941 1/20 0.50
METAP2 P50579 1/20 0.47
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
FGFR1 P11362 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL8761517 0.90 HPRT1 (0.54) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL28511774 0.80 HSP90AA1 (0.45) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL3201498 0.78 ALDH1A1 (0.41) HSD17B10TDP1ALDH1A1MAPK1PARP1
SCHEMBL8547852 0.76 ALDH1A1 (0.46) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL3198766 0.75 NOS1 (0.37) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL4955118 0.75 IMPDH2 (0.43) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL11189722 0.75 MAPT (0.43) HSD17B10NOS1TDP1ALDH1A1TSHR
SCHEMBL10595713 0.75 NOS1 (0.65) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL10596689 0.75 MAPT (0.47) HSD17B10NOS1TDP1ALDH1A1MAPK1
SCHEMBL31615135 0.75 MAPT (0.52) HSD17B10NOS1TDP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530228-A Condensed ring substituted dibenzofuran type organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2024-08-23 CN claimed
CN-118530227-A Condensed ring substituted dibenzofuran type organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2024-08-23 CN claimed
CN-116606685-A Water-soluble temper rolling liquid composition for non-degreased annealed steel sheet 大同化学株式会社 2023-08-18 CN claimed
CN-113185535-A Benzothiophene compound based on naphthalimide and preparation and application thereof 北京化工大学 2021-07-30 CN claimed
CN-113121563-A Thienophthalimide compound, thiophenethiol and preparation and application thereof 北京化工大学 2021-07-16 CN claimed
US-10907093-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-02 US claimed
CN-110698476-A Based on C3Symmetrical n-type organic semiconductor material and synthesis and application thereof 北京化工大学 2020-01-17 CN claimed
US-20180105741-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-19 US claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
EP-0143782-A1 COAL-WATER DISPERSION. FLUIDCARBON INTERNATIONAL AB (SE) 1985-06-12 EP claimed
WO-1984001957-A1 COAL-WATER DISPERSION FLUIDCARBON INTERNATIONAL AB (SE) 1984-05-24 WO claimed
US-12567515-B2 Conductive film, touch panel, photosensitive resin composition, and method of manufacturing conductive film FUJIFILM CORPORATION (JP) 2026-03-03 US disclosed
US-4163670-A PYRAZOLONE COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1979-08-07 US disclosed
US-3987055-A AZASTEROIDS COMPOUNDS AND DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL & MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY OF AGRICULTURE AND APPLIED SCIENCE (US) 1976-10-19 US 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-12567515-B2 Conductive film, touch panel, photosensitive resin composition, and method of manufacturing conductive film TAS1R2, TAS1R3, TAS1R1 HSD17B10 4474/4885NOS1 834/4885TDP1 1084/4885
US-20180105741-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME C1S, SCO2, CCND2 HSD17B10 497/4885NOS1 1809/4885TDP1 4148/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 HSD17B10 362/4885NOS1 1309/4885TDP1 20/4885
US-10907093-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, SCO2, CCND2 HSD17B10 497/4885NOS1 1809/4885TDP1 4148/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP HSD17B10 726/4885NOS1 2439/4885TDP1 127/4885

“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.