SCHEMBL2038504

SCHEMBL2038504

Fc1cncc(-c2nnn(-c3ccc(Cl)nc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 8/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
GRM5 P41594 7/20 0.43

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
SCHEMBL2034759 0.87 NPC1 (0.51) RAB9ANPC1MAPTALDH1A1CHRNB2
SCHEMBL2037569 0.87 RAB9A (0.55) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL2039501 0.85 NPC1 (0.46) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL2040629 0.81 NPC1 (0.51) RAB9ANPC1MAPTCHRNB2CHRNA5
SCHEMBL2039666 0.80 NPC1 (0.46) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL2035283 0.79 CHRNB2 (0.72) RAB9ANPC1MAPTCHRNB2CHRNA5
SCHEMBL2037946 0.79 CHRNB2 (0.72) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL2037580 0.77 NPC1 (0.46) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL2036752 0.74 NPC1 (0.46) RAB9ANPC1MAPTALDH1A1CHRNB2
SCHEMBL2118901 0.72 GRM5 (0.59) RAB9ANPC1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-12-06 US claimed
EP-2513087-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NeuroSearch A/S (DK) 2012-10-24 EP claimed
WO-2011073297-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NEUROSEARCH A/S (DK) 2011-06-23 WO claimed
US-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-12-06 US disclosed
EP-2513087-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NeuroSearch A/S (DK) 2012-10-24 EP disclosed
WO-2011073297-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NEUROSEARCH A/S (DK) 2011-06-23 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-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA5, CHRNA7, CHRNA3 RAB9A 2992/4885NPC1 3279/4885MAPT 480/4885

“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.