SCHEMBL16196831

SCHEMBL16196831

CN1CCN(Cn2ncn(-c3ccc(Br)cc3F)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 2/20 0.35
HTR1B P28222 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTR6 P50406 2/20 0.34
HTR1A P08908 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL16196970 0.89 MAOB (0.36) MAOBRXFP1MAPTTSHRROCK2
SCHEMBL16196907 0.86 KMT2A (0.36) MAPTTSHRALDH1A1KDM4ECA1
SCHEMBL16196854 0.82 MCHR1 (0.37) MAOBRXFP1HTR1A
SCHEMBL16197479 0.82 RXFP1 (0.38) MAOBRXFP1MAPTALOX15TSHR
SCHEMBL16197185 0.81 KMT2A (0.39) EGFRMAPTALOX15TSHRALDH1A1
SCHEMBL30203112 0.79 PPARD (0.36) RXFP1ALOX15TSHRALDH1A1ROCK2
SCHEMBL16196958 0.79 ALDH1A1 (0.41) MAOBRXFP1MAPTALOX15TSHR
SCHEMBL16197188 0.79 SMN1; SMN2 (0.39) MAOBRXFP1EGFRKDRMAPT
SCHEMBL16196863 0.78 ROCK2 (0.39) MAOBRXFP1MAPTALOX15TSHR
SCHEMBL16196957 0.78 CCR1 (0.36) MAOBRXFP1MAPTALOX15TSHR

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 MAOB 4104/4885RXFP1 174/4885EGFR 1397/4885

“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.