SCHEMBL2760431

SCHEMBL2760431

CCc1cc(OC)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.65
NOS1 P29475 11/20 0.65
NOS3 P29474 8/20 0.65
CCR1 P32246 1/20 0.57
CCR5 P51681 1/20 0.57
CCR8 P51685 1/20 0.57
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
PLAU P00749 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 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
SCHEMBL6844608 0.84 NOS2 (0.61) NOS2NOS1NOS3CCR1CCR5
SCHEMBL12585924 0.83 NQO1 (0.46) NOS2NOS1NOS3CCR1CCR5
SCHEMBL91288 0.83 NOS1 (0.47) NOS2NOS1NOS3CCR1CCR5
SCHEMBL18291870 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL21847247 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL24003779 0.82 CYP1A2 (0.49) NOS2NOS1NOS3CCR1CCR5
SCHEMBL1061501 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL30240847 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL7674585 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5
SCHEMBL3307860 0.82 NOS2 (0.62) NOS2NOS1NOS3CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331134-A Catalyst component for olefin polymerization, catalyst for olefin polymerization and application of catalyst component 中国石油天然气股份有限公司 2025-01-21 CN disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-11326165-B1 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2022-05-10 US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO disclosed
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2019-08-27 US disclosed
EP-2694484-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-18 EP disclosed
US-9868721-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2018-01-16 US disclosed
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-12-25 US disclosed
WO-2008024953-A2 TRANSITION METAL-CATALYZED ALKYLATION OF C-H BONDS WITH ORGANOBORON REAGENTS BRANDEIS UNIVERSITY (US) 2008-02-28 WO disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 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 (6 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-11326165-B1 Methods and compositions for modulating splicing RBM17, SF3B1, SNRPA1 NOS2 2491/4885NOS1 1869/4885NOS3 1924/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 NOS2 4195/4885NOS1 3695/4885NOS3 4232/4885
US-10392377-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 NOS2 1286/4885NOS1 1435/4885NOS3 1377/4885
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 NOS2 3993/4885NOS1 4140/4885NOS3 3404/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS NOS2 4521/4885NOS1 4235/4885NOS3 4327/4885
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists LPAR3, LPAR2, LPAR1 NOS2 4826/4885NOS1 4857/4885NOS3 4643/4885

“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.