SCHEMBL4097578

SCHEMBL4097578

O=C(NCc1ccccn1)Nn1ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.50
NTRK1 P04629 4/20 0.48
NTRK3 Q16288 2/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
P2RX7 Q99572 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
SCHEMBL4103018 0.81 HTT (0.51) SMN1; SMN2NTRK1ALDH1A1
SCHEMBL4508129 0.80 KDM4E (0.48) SMN1; SMN2KMT2AALDH1A1
SCHEMBL27312106 0.79 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1NTRK1NTRK3
SCHEMBL30877023 0.79 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1NTRK1NTRK3
SCHEMBL4102925 0.78 FES (0.52) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL4108710 0.77 RAB9A (0.50) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL4114519 0.77 CA12 (0.49) RAB9ANPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL29460273 0.77 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1ALOX15KMT2A
SCHEMBL21065524 0.77 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1ALOX15KMT2A
SCHEMBL4108478 0.77 CA12 (0.52) RAB9AKMT2AL3MBTL1ALDH1A1MEN1

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
EP-2078716-A1 New derivatives of 1H-indol-1-yl-urea, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-07-15 EP disclosed
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS LES LABORATOIRES SERVIER (FR) 2009-07-09 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 (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-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS TPH1, HTR1D, IDO1 SMN1; SMN2 269/4885RAB9A 1050/4885NPC1 2553/4885

“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.