SCHEMBL1801438

SCHEMBL1801438

Cc1ccc(C(=O)Cn2c(-n3ncnc3N)nc3ccccc32)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ALPL P05186 2/20 0.48
ALPG P10696 2/20 0.48
ALPP P05187 1/20 0.48
PLAA Q9Y263 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
F2R P25116 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA13 Q8N1Q1 3/20 0.45
CA12 O43570 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45

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
SCHEMBL1802569 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1GAARAB9AALPL
SCHEMBL5000985 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1GAARAB9AALPL
SCHEMBL1802857 0.69 CXCR3 (0.57) SMN1; SMN2NPC1GAARAB9AALDH1A1
SCHEMBL1803118 0.69 MAPT (0.59) SMN1; SMN2GAARAB9ATDP1TP53
SCHEMBL1801571 0.68 CTSD (0.45) SMN1; SMN2ALPLALPGALPPPLAA
SCHEMBL1802357 0.68 F2R (0.41) SMN1; SMN2ALPLALPGALPPPLAA
SCHEMBL1800064 0.68 CTSD (0.46) SMN1; SMN2ALPLALPGALPPPLAA
SCHEMBL14470429 0.66 F2R (0.61) SMN1; SMN2ALPLALPGALPPPLAA
SCHEMBL5000979 0.64 SMN1; SMN2 (0.45) SMN1; SMN2ALPLALPGALPPPLAA
SCHEMBL484344 0.63 F2R (0.57) SMN1; SMN2NPC1RAB9AALPLALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423157-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2008-09-09 US claimed
US-7951957-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2011-05-31 US disclosed
EP-1723138-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS BASILEA PHARMACEUTICA AG (CH) 2010-07-14 EP disclosed
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis EBERLE MARTIN 2008-11-20 US disclosed
US-7423157-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2008-09-09 US disclosed
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-07-19 US disclosed
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-03-22 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 (3 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-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD SMN1; SMN2 2693/4885NPC1 3798/4885GAA 2229/4885
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD SMN1; SMN2 2693/4885NPC1 3798/4885GAA 2229/4885
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis BAX, BCL2, BAD SMN1; SMN2 2693/4885NPC1 3798/4885GAA 2229/4885

“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.