SCHEMBL548193

SCHEMBL548193

COc1ccc(-n2nnc(-c3ccc(Cl)cc3C(F)(F)F)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL549179 0.85 POLB (0.58) POLBPTGS2PTGS1CYP1A2CYP2C9
SCHEMBL548342 0.85 POLB (0.60) POLBCYP3A4MAPTSMN1; SMN2PKM
SCHEMBL548171 0.79 POLB (0.47) POLBPTGS2PTGS1CYP1A2CYP2C9
SCHEMBL549096 0.78 POLB (0.55) POLBNPSR1MAPTSMN1; SMN2PKM
SCHEMBL549169 0.75 POLB (0.51) POLBPTGS2MAPTSMN1; SMN2PKM
SCHEMBL548302 0.72 POLB (0.69) POLBNPSR1MAPTSMN1; SMN2PKM
SCHEMBL548231 0.69 POLB (0.69) POLBMAPTSMN1; SMN2PKMTP53
SCHEMBL2258147 0.69 IDO1 (0.42) POLBPTGS2MAPTIDO1TDO2
SCHEMBL548181 0.67 POLB (0.59) POLBMAPTSMN1; SMN2TP53KMT2A
SCHEMBL548303 0.67 GABRA2 (0.44) POLBCYP2C9MAPTTP53

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-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US claimed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US claimed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 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 (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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 POLB 4113/4885PTGS2 1296/4885PTGS1 925/4885

“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.