SCHEMBL401356

SCHEMBL401356

[CH2]CCCc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACLY P53396 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.41
GGPS1 O95749 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
SCHEMBL10919386 0.94 IDO1 (0.50) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL9591964 0.92 ACLY (0.49) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL398220 0.87 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL16956209 0.83 TP53 (0.41) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11621292 0.82 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL7988972 0.81 IDO1 (0.54) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1808181 0.79 IDO1 (0.57) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL895036 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11279910 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL585759 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE TRUSTEES OF DARTMOUTH COLLEGE 2023-01-19 US disclosed
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
US-20210253566-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP. 2021-08-19 US disclosed
CN-112961149-A Cytochrome P450 inhibitors and uses thereof 安吉恩生物医药公司 2021-06-15 CN disclosed
US-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP. 2021-06-10 US disclosed
EP-3180335-B1 CYTOCHROME P450 INHIBITORS AND USES THEREOF ANGION BIOMEDICA CORP (US) 2021-05-05 EP disclosed
CN-107074841-B Cytochrome P450 inhibitors and uses thereof 安吉恩生物医药公司 2021-03-26 CN disclosed
EP-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP disclosed
US-20200199171-A1 NOVEL STEROIDS AND METHODS OF MANUFACTURE TRUSTEES OF DARTMOUTH COLLEGE 2020-06-25 US disclosed
US-10556893-B2 Cytochrome P450 inhibitors and uses thereof ANGION BIOMEDICA CORP. (US) 2020-02-11 US disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 EP disclosed
US-5635494-A CONTROLLING PHYTOPATHOGENIC FUNGI, INSECTS ROHM AND HAAS COMPANY (US) 1997-06-03 US disclosed
EP-0738716-A2 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1996-10-23 EP disclosed
US-5466821-A Triazole ring containing fungicides, intermediates ZENECA LIMITED (GB) 1995-11-14 US disclosed
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
US-5395942-A Fungicides for plants ZENECA LIMITED (GB) 1995-03-07 US disclosed
EP-0636120-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1995-02-01 EP disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP disclosed
WO-1992014703-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1992-09-03 WO disclosed
US-5004494-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 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-20210171515-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF CYP7A1, CYP2E1, CYP11B1 IDO1 398/4885CYP1A2 4/4885CYP3A4 35/4885
US-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE HSD17B7, HSD11B1, HSD11B2 IDO1 2268/4885CYP1A2 133/4885CYP3A4 82/4885
US-20210253566-A1 CYTOCHROME P450 INHIBITORS AND USES THEREOF CYP7A1, CYP2E1, CYP1A2 IDO1 293/4885CYP1A2 3/4885CYP3A4 36/4885
US-20200199171-A1 NOVEL STEROIDS AND METHODS OF MANUFACTURE CYP21A2, CYP17A1, CYP11B1 IDO1 2315/4885CYP1A2 103/4885CYP3A4 130/4885
US-10556893-B2 Cytochrome P450 inhibitors and uses thereof CYP7A1, CYP2E1, CYP1A2 IDO1 293/4885CYP1A2 3/4885CYP3A4 36/4885

“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.