SCHEMBL3260153

SCHEMBL3260153

OCC=Cc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ METAP1 P53582 1/20 0.42

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
SCHEMBL6140060 1.00 RAB9A (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL947177 0.80 — —
Methyl Alcohol SCHEMBL28478479 0.79 NPC1 (0.89) RAB9ANPC1MEN1KMT2AATM
SCHEMBL11105985 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL10801184 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL2989454 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL6160201 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL256048 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL31124655 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM
SCHEMBL6556168 0.78 NPC1 (0.62) RAB9ANPC1MEN1KMT2AATM

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10248594-A — — None — — JP disclosed
CN-108727179-B Synthetic method of alpha-allyl substituted alpha, beta-unsaturated ketone, ester or nitrile compound 信阳师范学院 2021-04-30 — — CN disclosed
CN-103827088-B It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors 奇斯药制品公司 2017-10-13 — — CN disclosed
CN-106946848-A It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors 奇斯药制品公司 2017-07-14 — — CN disclosed
CN-106946848-A It is used as the derivative of the pyridyl alkyl alcohol of 1 phenyl 2 of phosphodiesterase inhibitors 奇斯药制品公司 2017-07-14 — — CN disclosed
WO-2010009275-A1 METHODS OF TREATING INFLAMMATION INTEGRITAS PHARMA, INC (US) 2010-01-21 — — WO disclosed
EP-1416926-A4 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE SMITH JEFFREY B (US) 2009-03-04 — — EP disclosed
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-25 — — US disclosed
EP-1416926-A2 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE Smith, Jeffrey B. (US) 2004-05-12 — — EP disclosed
WO-2002098339-A2 ZINC CONTAINING COMPOSITIONS FOR ANTI-VIRAL USE SMITH JEFFREY B (US) 2002-12-12 — — WO disclosed
JP-H10248594-A ASYMMETRIC RESOLUTION OF PYRIDYLALCOHOLS UBE IND LTD 1998-09-22 — — JP disclosed
US-5334597-A Anti-asthmatic, antiallergic, antiinflammatory, cytoprotective treats angina, cerebral spasm, nephritis, hepatitis, uveitis, endotoxemia and allograft rejection MERCK FROSST CANADA, INC. (CA) 1994-08-02 — — US disclosed
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 — — US disclosed
EP-0538000-A1 Indole and indazole carbamates as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-04-21 — — EP disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 — — EP disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 — — US disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 — — EP disclosed
EP-0037254-B1 ACETIC ACID DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1984-07-25 — — EP disclosed
US-4356186-A ANTIINFLAMMATORY, ANALGESIC, AND ANTIPYRETIC, AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-10-26 — — US disclosed
EP-0037254-A1 Acetic acid derivatives, process for the preparation thereof and composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1981-10-07 — — 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 (1 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-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use ABCB1, UGT2B17, CYP7B1 RAB9A 1851/4885NPC1 104/4885MEN1 4391/4885

“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.

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