SCHEMBL4096765

SCHEMBL4096765

O=C(Nc1ccc2ncccc2c1)Nn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
POLB P06746 2/20 0.65
MEN1 O00255 1/20 0.65
MAPT P10636 1/20 0.65
KMT2A Q03164 1/20 0.65
NAMPT P43490 2/20 0.58
PABPC1 P11940 1/20 0.55
RAB9A P51151 6/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NOTUM Q6P988 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 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
SCHEMBL4101594 0.85 NPC1 (0.56) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL31054249 0.80 NPC1 (1.00) NPC1POLBMEN1MAPTKMT2A
SCHEMBL651929 0.80 NPC1 (1.00) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4114519 0.79 CA12 (0.49) NPC1KMT2ARAB9AALDH1A1NOTUM
SCHEMBL4101409 0.78 SLC6A2 (0.61) NPC1POLBMEN1KMT2ARAB9A
SCHEMBL5655823 0.78 NPC1 (0.88) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5658310 0.78 NPC1 (0.88) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4107375 0.78 MEN1 (0.52) MEN1KMT2APABPC1ALDH1A1SMN1; SMN2
SCHEMBL4106629 0.78 CA12 (0.52) NPC1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL3900501 0.78 MEN1 (0.53) NPC1MEN1MAPTKMT2ANAMPT

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 NPC1 2553/4885POLB 322/4885MEN1 2140/4885

“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.