SCHEMBL4106629

SCHEMBL4106629

O=C(Nc1ccccc1)Nn1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL4101409 0.88 SLC6A2 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL28614456 0.88 CA12 (0.54) CA12CA1CA2CA9TSHR
SCHEMBL4108478 0.86 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL3900501 0.84 MEN1 (0.53) CA12CA1CA2CA9TSHR
SCHEMBL4103818 0.83 KMT2A (0.50) CA12CA1CA2CA9TSHR
SCHEMBL4096892 0.81 KMT2A (0.49) CA12CA1CA2CA9TSHR
SCHEMBL4114519 0.80 CA12 (0.49) CA12CA1CA2CA9TSHR
SCHEMBL4101594 0.80 NPC1 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL4108710 0.78 RAB9A (0.50) CA12CA1CA2CA9TSHR
SCHEMBL4096765 0.78 NPC1 (0.65) CA12CA1CA2CA9TSHR

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 CA12 4648/4885CA1 3071/4885CA2 4025/4885

“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.