SCHEMBL16196863

SCHEMBL16196863

COCn1ncn(-c2ccc(Br)cc2F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.39
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HSD17B3 P37058 1/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL16196958 0.88 ALDH1A1 (0.41) ROCK2CCR1CCR2RXFP1HSD17B3
SCHEMBL16197479 0.83 RXFP1 (0.38) ROCK2CCR1CCR2RXFP1PPARD
SCHEMBL16196836 0.83 CASP3 (0.39) ROCK2CCR1CCR2HSD17B3PPARD
SCHEMBL30203112 0.83 PPARD (0.36) ROCK2CCR1CCR2RXFP1HSD17B3
SCHEMBL16196957 0.82 CCR1 (0.36) ROCK2CCR1CCR2RXFP1PPARD
SCHEMBL16196805 0.82 CYP1A2 (0.40) ROCK2CCR1CCR2RXFP1PPARD
SCHEMBL16196974 0.81 PPARD (0.39) ROCK2CCR1CCR2RXFP1HSD17B3
SCHEMBL17558003 0.81 AKR1B1 (0.39) CCR1CCR2PPARDPPARAPPARG
SCHEMBL16197188 0.80 SMN1; SMN2 (0.39) ROCK2CCR1CCR2RXFP1ALDH1A1
SCHEMBL16196806 0.80 ALDH1A1 (0.40) ROCK2CCR1CCR2RXFP1PPARD

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-9663495-B2 Triazolone derivatives or salts thereof and pharmaceutical composition comprising the same YUHAN CORPORATION (KR) 2017-05-30 US disclosed
US-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2016-03-10 US disclosed
EP-2989093-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2016-03-02 EP disclosed
WO-2014175621-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2014-10-30 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 (1 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-20160068515-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GPR119, GPR88, GCGR ROCK2 2378/4885CCR1 1694/4885CCR2 638/4885

“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.