SCHEMBL5068893

SCHEMBL5068893

Cc1c(C(=O)O)cnc2cc(-c3ccccc3)nn12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.82
RAB9A P51151 8/20 0.82
SMN1; SMN2 Q16637 6/20 0.82
HPGD P15428 5/20 0.82
HSD17B10 Q99714 3/20 0.82
ALDH1A1 P00352 3/20 0.82
KDM4E B2RXH2 6/20 0.78
TP53 P04637 2/20 0.78
LMNA P02545 1/20 0.78
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
RXFP1 Q9HBX9 3/20 0.64
LDHA P00338 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL8344809 0.88 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL29432093 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL18825839 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL2303449 0.84 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL758308 0.80 CYP1A2 (0.77) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL18826019 0.78 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL18787654 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL5070873 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL5071859 0.74 MAPT (0.58) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL3705489 0.74 NPC1 (0.83) NPC1RAB9ASMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP claimed
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 NPC1 371/4885RAB9A 3667/4885SMN1; SMN2 2474/4885

“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.