SCHEMBL548988

SCHEMBL548988

COc1ccc(Cl)cc1-c1nnn(-c2ccc(Cl)cc2Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
NR1I2 O75469 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
AGPAT2 O15120 7/20 0.40
CNR1 P21554 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
SCHEMBL548303 0.89 GABRA2 (0.44) TP53MAPTALDH1A1KDM4EPOLB
SCHEMBL549145 0.80 ALDH1A1 (0.43) TP53ALDH1A1L3MBTL1
SCHEMBL548231 0.80 POLB (0.69) TP53MAPTALDH1A1POLBL3MBTL1
SCHEMBL548342 0.73 POLB (0.60) TP53MAPTALDH1A1POLBL3MBTL1
SCHEMBL23405497 0.69 POLB (0.62) TP53MAPTALDH1A1POLB
SCHEMBL549165 0.69 MEN1 (0.49) TP53POLBL3MBTL1
SCHEMBL942056 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBRECQLHRH4
SCHEMBL28463382 0.68 L3MBTL1 (0.60) MAPTALDH1A1POLBL3MBTL1
SCHEMBL7699644 0.68 ALDH1A1 (0.56) ALDH1A1KDM4ERECQLAGPAT2
SCHEMBL19405133 0.68 NR1I2 (0.54) TP53ALDH1A1NR1I2

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 TP53 4840/4885MAPT 700/4885ALDH1A1 1573/4885

“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.