SCHEMBL645546

SCHEMBL645546

COc1ccc2cc[c]cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.57
CYP1A2 P05177 2/20 0.57
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
RAB9A P51151 2/20 0.44
NQO1 P15559 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GSTP1 P09211 1/20 0.43
NCF1 P14598 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B2 P19099 2/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL2254126 0.94 CYP2A6 (0.50) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL2252619 0.94 CYP2A6 (0.50) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL314646 0.94 CYP2A6 (0.54) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL7193058 0.79 CYP1A2 (0.34) CYP2A6CYP1A2RAB9ANQO1CA12
SCHEMBL578349 0.79 NQO1 (0.45) CYP1A2NQO1KDM4EMEN1POLB
SCHEMBL4588144 0.79 ALDH1A1 (0.41) CYP1A2RAB9ANQO1KDM4EMEN1
SCHEMBL443528 0.78 CYP2A6 (0.80) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL29367032 0.78 CYP2A6 (0.80) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL443070 0.78 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A
SCHEMBL29447161 0.78 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028585-B Arylalkylazole derivative and application thereof 聊城大学 2023-08-18 CN claimed
CN-115028585-A Arylalkanazole derivatives and use thereof 聊城大学 2022-09-09 CN claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP claimed
US-9085531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-21 US claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-28 US claimed
US-4071621-A N2 -alkoxynaphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-31 US claimed
US-4069318-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-17 US claimed
US-4066758-A ANTITHROMBOTIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US claimed
US-4055651-A THROMBOSIS INHIBITORS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-10-25 US claimed
US-4055636-A THROMBOSIS INHIBITORS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-10-25 US claimed
US-4046876-A THROMBIN INHIBITORS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-06 US claimed
US-4041156-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-08-09 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed
US-4018913-A N2 -alkoxynaphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-04-19 US claimed
US-4018915-A ANTITHROMBOTIC MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-04-19 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 (4 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-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CYP2A6 1519/4885CYP1A2 439/4885HSD17B1 353/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 CYP2A6 1519/4885CYP1A2 439/4885HSD17B1 353/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CYP2A6 1519/4885CYP1A2 439/4885HSD17B1 353/4885
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 CYP2A6 742/4885CYP1A2 146/4885HSD17B1 1170/4885

“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.