SCHEMBL414168

SCHEMBL414168

CCCCOc1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
LTA4H P09960 2/20 0.47
CYP3A4 P08684 1/20 0.47
NR5A1 Q13285 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7777016 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL7001372 0.95 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL3707532 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL1020538 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL9702597 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL9162002 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL11848774 0.95 NR5A1 (0.54) TSHRLTA4HNR5A1LMNAGAA
SCHEMBL991987 0.93 CYP2C9 (0.50) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL1493053 0.90 CYP3A4 (0.52) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL10341873 0.90 CYP3A4 (0.52) CYP1A2CYP19A1CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-9962398-B2 Sulfonamide compounds for inhibition of metastatic tumor growth WELICHEM BIOTECH INC. (CA) 2018-05-08 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-2590938-B1 NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH WELICHEM BIOTECH INC (CA) 2017-06-07 EP disclosed
EP-2945950-B1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2017-03-01 EP disclosed
US-20170007627-A1 NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH WELICHEM BIOTECH INC. (CA) 2017-01-12 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-9463171-B2 Sulfonamide compounds for inhibition of metastatic tumor growth WELICHEM BIOTECH INC. (CA) 2016-10-11 US disclosed
US-4465682-A Combating pests with substituted 3,6-diphenyl-3,4-dihydro-2H-1,3,5-oxadiazine-2,4-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-08-14 US disclosed
US-4348394-A Combating pests with substituted 3,6-diphenyl-3,4-dihydro-2H-1,3,5-oxadiazine-2,4-diones BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0014881-B1 OXADIAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1982-02-17 EP disclosed
US-4285946-A ANOREXIGENIC AGENTS; TREATING DISTURBANCES OF THE METABOLISM OF LIPIDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0014881-A1 Oxadiazine derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1980-09-03 EP disclosed
US-4136180-A HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS PFIZER INC. (US) 1979-01-23 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4062960-A Hypolipidemic alkenesulfonamides PFIZER INC. (US) 1977-12-13 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed
US-3983107-A ARTERIOSCLEROSIS PFIZER INC. (US) 1976-09-28 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 (2 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP1A2 4730/4885CYP19A1 3363/4885CYP2C9 4746/4885
US-20170007627-A1 NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH HIF1AN, CBX2, HIF1A CYP1A2 3705/4885CYP19A1 3098/4885CYP2C9 4188/4885

“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.