SCHEMBL4885911

SCHEMBL4885911

NCC(Cc1nc(-c2ccccn2)no1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 16/20 0.57
RAB9A P51151 15/20 0.57
TSHR P16473 4/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 13/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.49
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
GRM5 P41594 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL4887744 0.83 NOTUM (0.51) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL8471794 0.79 NPC1 (0.60) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL4886294 0.77 NPC1 (0.45) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL4888645 0.76 GRM5 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4884701 0.75 SMN1; SMN2 (0.41) TSHRSMN1; SMN2HTTNPSR1TP53
SCHEMBL8900290 0.72 NPC1 (0.68) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL334041 0.70 NPC1 (0.68) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL18027882 0.68 NPC1 (0.67) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL4885906 0.68 NPC1 (0.53) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL14153556 0.68 RAB9A (0.51) NPC1RAB9ATSHRKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 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-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 NPC1 2114/4885RAB9A 2627/4885TSHR 185/4885

“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.