SCHEMBL549179

SCHEMBL549179

COc1ccc(-n2nnc(-c3ccc(Cl)cc3F)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
IDO1 P14902 3/20 0.51
TDO2 P48775 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
AMY1A P0DUB6 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL548342 0.88 POLB (0.60) POLBIDO1TDO2SMN1; SMN2PKM
SCHEMBL549169 0.88 POLB (0.51) POLBIDO1TDO2SMN1; SMN2PKM
SCHEMBL548193 0.85 POLB (0.55) POLBIDO1TDO2SMN1; SMN2PKM
SCHEMBL548171 0.84 POLB (0.47) POLBIDO1TDO2SMN1; SMN2TP53
SCHEMBL549096 0.83 POLB (0.55) POLBIDO1TDO2SMN1; SMN2PKM
SCHEMBL548302 0.74 POLB (0.69) POLBSMN1; SMN2PKMTP53KMT2A
SCHEMBL548231 0.72 POLB (0.69) POLBSMN1; SMN2PKMTP53KMT2A
SCHEMBL6521129 0.69 CXCR2 (0.49) POLBKMT2AMEN1MAPT
SCHEMBL2258147 0.69 IDO1 (0.42) POLBIDO1TDO2TP53RAB9A
SCHEMBL6517582 0.68 GRM2 (0.49) POLBKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2185529-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-05-19 EP disclosed
WO-2009019278-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-02-12 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 POLB 4113/4885IDO1 1025/4885TDO2 2449/4885

“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.