SCHEMBL4101409

SCHEMBL4101409

O=C(Nc1ccncc1)Nn1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.61
TAAR1 Q96RJ0 2/20 0.53
MDM2 Q00987 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4106629 0.88 CA12 (0.52) SLC6A2TAAR1CA12CA1CA2
SCHEMBL3900501 0.85 MEN1 (0.53) SLC6A2TAAR1CA12CA1CA2
SCHEMBL28614456 0.83 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL4113201 0.81 KMT2A (0.52) SLC6A2MDM2LMNAKMT2AMEN1
SCHEMBL4114519 0.81 CA12 (0.49) SLC6A2CA12CA1CA2CA9
SCHEMBL4108478 0.81 CA12 (0.52) SLC6A2CA12CA1CA2CA9
SCHEMBL4103018 0.80 HTT (0.51) SLC6A2SMN1; SMN2HTT
SCHEMBL4108710 0.79 RAB9A (0.50) CA12CA1CA2CA9LMNA
SCHEMBL4096765 0.78 NPC1 (0.65) CA12CA1CA2CA9POLB
SCHEMBL4101594 0.78 NPC1 (0.56) CA12CA1CA2CA9LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106753-A1 NOVEL DERIVATIVES OF 1H-INDOL-1-YL UREA, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-09-03 WO disclosed
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 SLC6A2 1041/4885TAAR1 60/4885MDM2 761/4885

“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.