SCHEMBL2779334

SCHEMBL2779334

O=C(O)c1cccnc1Oc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.76
POLB P06746 4/20 0.57
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.54
P2RX3 P56373 1/20 0.53
PDE10A Q9Y233 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
DHODH Q02127 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
MAPK8 P45983 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2924686 0.88 RAB9A (0.76) RAB9APOLBTDP1ALDH1A1KDM4E
SCHEMBL861902 0.87 TDP1 (0.71) RAB9APOLBTDP1ALDH1A1KDM4E
SCHEMBL28662140 0.86 RAB9A (1.00) RAB9APOLBTDP1ALDH1A1KDM4E
SCHEMBL11810048 0.86 PDE10A (0.60) RAB9ATDP1ALDH1A1KDM4EPDE10A
SCHEMBL10898466 0.85 LMNA (0.68) RAB9APOLBTDP1ALDH1A1KDM4E
SCHEMBL2781160 0.84 GAA (0.67) RAB9ATDP1ALDH1A1KDM4EPDE10A
SCHEMBL2779361 0.84 KMT2A (0.65) RAB9ATDP1ALDH1A1PDE10ADHODH
SCHEMBL6457226 0.84 TDP1 (0.64) RAB9ATDP1ALDH1A1PDE10AGAA
SCHEMBL1797073 0.84 TDP1 (0.56) RAB9ATDP1ALDH1A1KDM4EPDE10A
SCHEMBL2332693 0.84 ALDH1A1 (0.61) RAB9APOLBTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112663337-B Post-finishing process of ecological organic colored cotton woven fabric 安徽省吉祥纺织工程先进技术研究院 2022-10-11 CN claimed
CN-112663337-B Post-finishing process of ecological organic colored cotton woven fabric 安徽省吉祥纺织工程先进技术研究院 2022-10-11 CN disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-8735630-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-8735630-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-8378145-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-19 US disclosed
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-08-03 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4157395-A TREATMENT OF DIABETES HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-05 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 (3 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-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions NBAS, APEX1, CBR3 RAB9A 1768/4885POLB 2539/4885TDP1 3878/4885
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 RAB9A 1768/4885POLB 2539/4885TDP1 3878/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 RAB9A 1648/4885POLB 3369/4885TDP1 1049/4885

“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.