SCHEMBL4108478

SCHEMBL4108478

O=C(Nn1ccc2ccccc21)Nn1ccc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NOTUM Q6P988 1/20 0.48
SLC6A2 P23975 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4096892 0.86 KMT2A (0.49) CA12CA1CA2CA9NOTUM
SCHEMBL4106629 0.86 CA12 (0.52) CA12CA1CA2CA9SLC6A2
SCHEMBL10973432 0.85 NOTUM (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL4114440 0.85 LMNA (0.47) CA12CA1CA2CA9NOTUM
SCHEMBL30371592 0.85 NOTUM (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL31414100 0.85 LMNA (0.47) CA12CA1CA2CA9NOTUM
SCHEMBL4508129 0.82 KDM4E (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL4114519 0.82 CA12 (0.49) CA12CA1CA2CA9NOTUM
SCHEMBL4101409 0.81 SLC6A2 (0.61) CA12CA1CA2CA9SLC6A2
SCHEMBL28614456 0.81 CA12 (0.54) CA12CA1CA2CA9KMT2A

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.