SCHEMBL4888645

SCHEMBL4888645

NCC(Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.40
KCNH2 Q12809 1/20 0.39

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 0.87 NOTUM (0.51) LMNARAB9ANPC1KMT2AMAPT
SCHEMBL5176782 0.83 FFAR1 (0.45) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL4888639 0.80 SCN5A (0.47) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL4880805 0.78 MAPT (0.42) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL4884701 0.77 SMN1; SMN2 (0.41) LMNAKMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL4885911 0.76 NPC1 (0.57) GRM5RAB9ANPC1MAPTALDH1A1
SCHEMBL8293861 0.76 GRM5 (0.53) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL8293860 0.76 NOTUM (0.67) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL1545132 0.74 TDP1 (0.54) GRM5LMNARAB9ANPC1KMT2A
SCHEMBL5176779 0.72 FFAR1 (0.46) GRM5LMNARAB9ANPC1KMT2A

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 GRM5 388/4885LMNA 3950/4885RAB9A 2627/4885

“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.