SCHEMBL411657

SCHEMBL411657

Cc1c[c]nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
GPR3 P46089 2/20 0.39
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
HPGD P15428 2/20 0.35
NUDT1 P36639 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
NCF1 P14598 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5751117 0.75 TNKS2 (0.40) CYP1A2KDM4EMAPTGPR3ALDH1A1
SCHEMBL8798955 0.75 LMNA (0.43) CYP1A2KDM4EMAPTL3MBTL1NQO2
SCHEMBL2074888 0.75
SCHEMBL4461176 0.74 GPR3 (0.37) KDM4EMAPTL3MBTL1POLBRAB9A
SCHEMBL9479290 0.74 CYP1A2 (0.38) CYP1A2BACE1KDM4EMAPTPOLB
SCHEMBL442600 0.74 IDO1 (0.39) CYP1A2KDM4EMAPTL3MBTL1POLB
SCHEMBL1826639 0.74 MAOA (0.41) CYP1A2KDM4EMAPTL3MBTL1RAB9A
SCHEMBL6179959 0.74 GPR3 (0.37) CYP1A2KDM4EMAPTPOLBRAB9A
SCHEMBL1146962 0.74 NCF1 (0.47) CYP1A2BACE1KDM4EMAPTL3MBTL1
SCHEMBL4073308 0.74 KDM1A (0.40) CYP1A2KDM4EMAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113686943-B Multifunctional nucleic acid dye and preparation method and application thereof 苏州优逸兰迪生物科技有限公司 2024-01-26 CN claimed
CN-113686943-A Multifunctional nucleic acid dye and preparation method and application thereof 苏州优逸兰迪生物科技有限公司 2021-11-23 CN claimed
WO-2021176428-A1 PHENANTHROLINE, CARBAZOLE AND FLAVYLIUM BASED CYANINES AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-09-10 WO claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-12-22 US claimed
US-20110224252-A1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US claimed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2201000-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-31 EP claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2003043735-A2 AROMATIC COMPOUNDS CONTAINING NITROGEN AND P-FUNCTIONALIZED AMINES, THE PRODUCTION THEREOF AND THEIR USE IN CATALYTIC REACTIONS DEGUSSA AG (DE) 2003-05-30 WO claimed
WO-2003037311-A2 METHOD FOR TREATING RETROVIRAL INFECTIONS UNIROYAL CHEMICAL COMPANY, INC. (US) 2003-05-08 WO claimed
EP-0782632-B1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN US GOV HEALTH & HUMAN SERV (US) 2003-04-16 EP claimed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP claimed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO claimed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US 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-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US 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 (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-20110311649-A1 NOVEL IMIDAZOLE DERIVATIVES CBR3, C3AR1, C1R CYP1A2 358/4885BACE1 3701/4885KDM4E 3648/4885
US-20110224252-A1 NOVEL IMIDAZOLE DERIVATIVES C1R, CBR3, C3AR1 CYP1A2 208/4885BACE1 3394/4885KDM4E 2625/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A CYP1A2 237/4885BACE1 2282/4885KDM4E 645/4885

“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.