SCHEMBL5329940

SCHEMBL5329940

O=C(O)c1ccc2[nH]c(NC(=O)c3ccc(C4CCCCC4)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
PKM P14618 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
SERPINE1 P05121 1/20 0.48
SCD O00767 1/20 0.48
DEGS1 O15121 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
KMO O15229 1/20 0.46
NAMPT P43490 1/20 0.46
KLF5 Q13887 2/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12452428 0.81 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL30301797 0.78 P2RY14 (0.59) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL5772605 0.77 CYP2D6 (0.52) NPC1RAB9AKMOKDM4EHSD17B10
SCHEMBL5518846 0.73 L3MBTL1 (0.59) SERPINE1DEGS1HDAC8HDAC6HDAC3
SCHEMBL27574066 0.72 SERPINE1 (0.65) NPC1SERPINE1DEGS1HDAC8HDAC6
SCHEMBL6996307 0.72 CYP3A4 (0.48) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL6320497 0.72 LMNA (0.62) NPC1SMN1; SMN2ADORA2AKDM4ETP53
SCHEMBL15939272 0.72 LPAR2 (0.68) NPC1RAB9ASMN1; SMN2DEGS1NAMPT
SCHEMBL12393041 0.72 LCK (0.53) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL11706930 0.72 NPC1 (0.86) NPC1RAB9APKMSMN1; SMN2MAOB

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-7282518-B2 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-10-16 US disclosed
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 US disclosed
EP-1368028-B1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-08-15 EP disclosed
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents SIRCAR JAGADISH C (US) 2004-10-28 US disclosed
US-6759425-B2 USEFUL IN THE TREATMENT OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IGE IS PATHOGENIC; ALSO ARE USEFUL AS ANTICANCER AGENTS. AVANIR PHARMACEUTICALS 2004-07-06 US disclosed
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2002-09-19 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-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION MKI67, CMA1, CCNI NPC1 2928/4885RAB9A 4244/4885PKM 3681/4885
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents FCER2, CMA1, FCGR1A NPC1 3036/4885RAB9A 3348/4885PKM 4252/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI NPC1 2928/4885RAB9A 4244/4885PKM 3681/4885

“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.