SCHEMBL4887733

SCHEMBL4887733

COc1ccc(-c2ccn(C=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.41
ENPP3 O14638 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
SCN4A P35499 1/20 0.41
HPGD P15428 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 1/20 0.40
CYP2A6 P11509 1/20 0.40
PARP1 P09874 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
SCHEMBL6630227 0.79 NPC1 (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3451021 0.77 SCN4A (0.64) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28138784 0.74 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5648447 0.74 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28127681 0.74 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2454824 0.72 NPC1 (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7055588 0.72 SCN4A (0.55) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2834175 0.71 CYP19A1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12777942 0.71 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8816453 0.70 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885ALDH1A1 3589/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885ALDH1A1 3589/4885

“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.