SCHEMBL2041201

SCHEMBL2041201

Fc1ccc(-n2nnc(-c3cccnc3F)n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.59
NPC1 O15118 11/20 0.59
MAPT P10636 6/20 0.59
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP3 P42574 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL2040507 0.78 NPC1 (0.73) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL2120623 0.74 GRM5 (0.65) RAB9ANPC1MAPTPKMPOLB
SCHEMBL2033604 0.73 CHRNB2 (0.72) RAB9ANPC1MAPTCHRNB2CHRNA5
SCHEMBL2037579 0.73 RAB9A (0.42) RAB9ANPC1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2120211 0.73 GRM5 (0.64) RAB9ANPC1MAPTPKMPOLB
SCHEMBL2037353 0.71 RAB9A (0.43) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL2040967 0.71 CHRNB2 (0.61) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL2034759 0.70 NPC1 (0.51) RAB9ANPC1MAPTALDH1A1PKM
SCHEMBL8578631 0.69 RAB9A (0.81) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL2122060 0.69 GRM5 (0.59) RAB9ANPC1MAPTALDH1A1CHRNB2

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.