SCHEMBL15537796

SCHEMBL15537796

Nc1ccc(Br)c2c(F)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 6/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 3/20 0.44
KEAP1 Q14145 5/20 0.44
NFE2L2 Q16236 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.39

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
SCHEMBL5508816 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL29940073 0.74 HKDC1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23043391 0.74 HKDC1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6690250 0.74 CYP1A2 (0.40) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL18859387 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2KEAP1NFE2L2
SCHEMBL29943628 0.71 HKDC1 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL29583348 0.70 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A2CYP2C9KEAP1
SCHEMBL23191346 0.70 CCNE2 (0.37) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9404215 0.70 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A2CYP2C9KEAP1
SCHEMBL3179229 0.69 TDP1 (0.46) ALDH1A1CYP3A4KEAP1NFE2L2CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
EP-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 WO 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-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC ALDH1A1 688/4885CYP3A4 879/4885CYP1A2 461/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC ALDH1A1 671/4885CYP3A4 836/4885CYP1A2 429/4885

“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.