SCHEMBL9368367

SCHEMBL9368367

CCOc1sc(C)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11577320 0.69 TP53 (0.37) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL9365019 0.68 CA2 (0.45) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL15182513 0.66 NPC1 (0.52) KDM4EHSD17B10KMT2A
SCHEMBL2745154 0.64
SCHEMBL13410110 0.62 MAPK1 (0.58) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL3960518 0.60 LMNA (0.36) KDM4EHSD17B10KMT2A
Hydrogen Sulfide SCHEMBL27996935 0.58 CA12 (0.32) KDM4EMAPK1HSD17B10
SCHEMBL31176196 0.58
SCHEMBL21720212 0.58 KMT2A (0.38) KMT2A
SCHEMBL11578118 0.58 NPC1 (0.33) KDM4EMAPK1HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
EP-0095925-B2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives DU PONT (US) 1994-12-07 EP disclosed
US-4943312-A Herbicidal thiazole derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-24 US disclosed
US-4919706-A HERBICIDES; PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-24 US disclosed
EP-0095925-B1 HERBICIDAL IMIDAZOLE, PYRAZOLE, THIAZOLE AND ISOTHIAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-22 EP disclosed
EP-0095925-A2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-07 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 (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-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC KDM4E 829/4885MAPK1 3520/4885HSD17B10 1247/4885
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC KDM4E 1153/4885MAPK1 2631/4885HSD17B10 1345/4885

“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.