SCHEMBL4103018

SCHEMBL4103018

O=C(NCc1ccncc1)Nn1ccc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SLC6A2 P23975 1/20 0.50
NAMPT P43490 9/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
NTRK1 P04629 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4508129 0.89 KDM4E (0.48) HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL4102925 0.86 FES (0.52) NAMPTALDH1A1SMN1; SMN2
SCHEMBL4097578 0.81 SMN1; SMN2 (0.52) ALDH1A1NTRK1SMN1; SMN2
SCHEMBL4101409 0.80 SLC6A2 (0.61) HTTSLC6A2SMN1; SMN2
SCHEMBL4108478 0.78 CA12 (0.52) HTTSLC6A2ALDH1A1
SCHEMBL4113322 0.74 BACE1 (0.44) ALDH1A1GAAMAPT
SCHEMBL21065527 0.73 HTT (0.68) HTTNAMPTALDH1A1GAAMAPT
SCHEMBL4114519 0.72 CA12 (0.49) SLC6A2ALDH1A1GAA
SCHEMBL3900501 0.71 MEN1 (0.53) HTTSLC6A2NAMPTALDH1A1MAPT
SCHEMBL4108710 0.70 RAB9A (0.50) HTTGAASMN1; SMN2

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 HTT 18/4885SLC6A2 1041/4885NAMPT 3686/4885

“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.