SCHEMBL96433

SCHEMBL96433

Cc1c[c]c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
NCF1 P14598 2/20 0.42
MAPT P10636 3/20 0.42
NQO2 P16083 3/20 0.41
GPR3 P46089 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAOA P21397 2/20 0.37
GLA P06280 2/20 0.37
ACHE P22303 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL4875167 0.77 MAPT (0.46) MAPTNQO2GPR3POLBALDH1A1
SCHEMBL27551144 0.75 CYP1A2 (0.50) CYP1A2MAPTNQO2ALDH1A1HPGD
SCHEMBL7954685 0.75 CYP1A2 (0.48) CYP1A2MAPTNQO2ALDH1A1KDM4E
SCHEMBL4462081 0.74 MAOA (0.46) MAPTNQO2POLBALDH1A1HPGD
SCHEMBL6448214 0.74 MAPT (0.42) CYP1A2MAPTNQO2GPR3POLB
SCHEMBL4462883 0.74 MAPT (0.42) MAPTNQO2GPR3POLBALDH1A1
SCHEMBL481985 0.74 ALDH1A1 (0.46) CYP1A2NCF1MAPTNQO2POLB
SCHEMBL426806 0.74 CYP1A2 (0.50) CYP1A2NCF1NQO2GPR3POLB
SCHEMBL7953885 0.74 MAPT (0.37) MAPTNQO2GPR3POLBALDH1A1
SCHEMBL5750423 0.74 KDM4E (0.40) MAPTNQO2POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217848-B Spiro-dihydrobenzothiole diphenol compound, synthesis method and application thereof 中国科学院上海有机化学研究所 2021-11-02 CN claimed
US-10840397-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2020-11-17 US claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US claimed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US claimed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 WO claimed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO claimed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
WO-2000035455-A1 HETEROARYL-ARYL UREAS AS IGF-1 RECEPTOR ANTAGONISTS TELIK, INC. (US) 2000-06-22 WO claimed
EP-0350691-B2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF AG (DE) 1999-07-28 EP claimed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
EP-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 EP claimed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP1A2 2151/4885NCF1 1379/4885MAPT 627/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 CYP1A2 2151/4885NCF1 1379/4885MAPT 627/4885

“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.