SCHEMBL548342

SCHEMBL548342

COc1ccc(-n2nnc(-c3ccc(Cl)cc3Cl)c2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
MARS1 P56192 1/20 0.47
DPP4 P27487 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.41
LMNA P02545 2/20 0.41
CXCR2 P25025 1/20 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
SCHEMBL549096 0.88 POLB (0.55) POLBSMN1; SMN2PKMTP53MAPT
SCHEMBL549179 0.88 POLB (0.58) POLBMARS1SMN1; SMN2PKMTP53
SCHEMBL548193 0.85 POLB (0.55) POLBMARS1SMN1; SMN2PKMTP53
SCHEMBL6521129 0.81 CXCR2 (0.49) POLBDPP4MAPTKMT2AMEN1
SCHEMBL548231 0.79 POLB (0.69) POLBDPP4SMN1; SMN2PKMTP53
SCHEMBL548302 0.79 POLB (0.69) POLBSMN1; SMN2PKMTP53MAPT
SCHEMBL549169 0.78 POLB (0.51) POLBSMN1; SMN2PKMTP53MAPT
SCHEMBL548171 0.74 POLB (0.47) POLBSMN1; SMN2TP53MAPTIDO1
SCHEMBL548988 0.73 TP53 (0.44) POLBTP53MAPTCNR1ALDH1A1
SCHEMBL2258147 0.71 IDO1 (0.42) POLBTP53MAPTIDO1TDO2

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 3 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

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 4113/4885MARS1 3185/4885DPP4 1343/4885

“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.