SCHEMBL4887744

SCHEMBL4887744

NCC(Cc1nc(-c2ccccc2)no1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
NR2F2 P24468 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 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
SCHEMBL4888645 0.87 GRM5 (0.46) NOTUMSMN1; SMN2LMNATDP1NPSR1
SCHEMBL4884701 0.85 SMN1; SMN2 (0.41) NOTUMSMN1; SMN2TSHRLMNANR2F2
SCHEMBL4885911 0.83 NPC1 (0.57) SMN1; SMN2TSHRHTTNPSR1RAB9A
SCHEMBL8472388 0.76 DPP4 (0.55) NOTUMSMN1; SMN2TSHRLMNANR2F2
SCHEMBL4890499 0.75 ALDH1A1 (0.45) TSHRLMNAHTTMEN1KMT2A
SCHEMBL14736563 0.73 RAB9A (0.70) NOTUMSMN1; SMN2TSHRTDP1RAB9A
SCHEMBL5176782 0.73 FFAR1 (0.45) SMN1; SMN2TSHRLMNARAB9ANPC1
SCHEMBL12477652 0.72 NOTUM (0.69) NOTUMSMN1; SMN2TSHRLMNANR2F2
SCHEMBL10130651 0.71 NOTUM (0.62) NOTUMSMN1; SMN2TSHRLMNANR2F2
Hydrochloric Acid SCHEMBL5656477 0.71 NOTUM (0.67) NOTUMSMN1; SMN2TSHRTDP1RAB9A

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 NOTUM 892/4885SMN1; SMN2 4481/4885TSHR 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.