SCHEMBL25888

SCHEMBL25888

O=COCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HPGD P15428 1/20 0.44
ACP3 P15309 1/20 0.43
CDYL Q9Y232 1/20 0.43
DAO P14920 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.41

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
SCHEMBL5540320 0.90 MTNR1A (0.43) MTNR1ANQO2TDP1NPC1RAB9A
SCHEMBL5538684 0.88 MTNR1A (0.42) MTNR1ANQO2TDP1NPC1RAB9A
SCHEMBL5543510 0.87 SLC16A3 (0.41) MTNR1ANQO2TDP1NPC1RAB9A
SCHEMBL5542952 0.87 SLC16A3 (0.41) MTNR1ANQO2TDP1NPC1RAB9A
SCHEMBL27554620 0.85 NPC1 (0.38) MTNR1ANQO2NPC1RAB9A
SCHEMBL4514414 0.82 CYP1A2 (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL29853 0.81 NPC1 (0.54) TDP1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL27655056 0.79 TRPM4 (0.36) TDP1NPC1RAB9ACYP1A2
SCHEMBL586305 0.79 CYP1A2 (0.52) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL14724998 0.79 HTR2A (0.60) MTNR1ANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
CN-1886124-A Method for inhibiting production of remnant lipoproteins JAPAN TOBACCO INC (JP) 2006-12-27 CN claimed
CN-1635911-A Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER PROD INC (US) 2005-07-06 CN claimed
US-20240156792-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-05-16 US disclosed
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
US-11918562-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-03-05 US disclosed
US-20220016090-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-01-20 US disclosed
US-11166943-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-11-09 US disclosed
WO-2021025065-A1 COMBINATION THERAPY FOR CANCER USING AZABICYCLIC COMPOUND AND POLY(ADENOSINE 5'-DIPHOSPHATE-RIBOSE) POLYMERASE INHIBITOR 大鵬薬品工業株式会社 2021-02-11 WO disclosed
WO-2021024393-A1 CANCER COMBINATION THERAPY USING AZABICYCLIC COMPOUND AND POLYADENOSINE-5'-DIPHOSPHATE RIBOSE POLYMERASE INHIBITOR 大鵬薬品工業株式会社 2021-02-11 WO disclosed
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed
US-4057550-A 14,15-DIHYDRO-14-CYANO-EBURNAMENINES, VASODILATION RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-11-08 US disclosed
US-4054571-A Nitrogen-containing polycyclic compounds and a process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-10-18 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 (5 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-20240156792-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER HSP90AB1, HSP90AA1, HSP90AB2P MTNR1A 4438/4885NQO2 1245/4885TDP1 2033/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 MTNR1A 2011/4885NQO2 194/4885TDP1 3778/4885
US-11918562-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P MTNR1A 4438/4885NQO2 1245/4885TDP1 2033/4885
US-20220016090-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER HSP90AB1, HSP90AA1, HSP90AB2P MTNR1A 4438/4885NQO2 1245/4885TDP1 2033/4885
US-11166943-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P MTNR1A 4438/4885NQO2 1245/4885TDP1 2033/4885

“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.