SCHEMBL4107498

SCHEMBL4107498

O=C(Nc1ccc(Cl)nn1)Nn1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 2/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A2 P23975 1/20 0.37
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
MAPT P10636 2/20 0.34
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 3/20 0.33
KDR P35968 3/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4108710 0.77 RAB9A (0.50) CA12CA1CA2CA9GAA
SCHEMBL4108478 0.77 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL28614456 0.76 CA12 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL4106629 0.75 CA12 (0.52) CA12CA1CA2CA9SLC6A2
SCHEMBL4114519 0.74 CA12 (0.49) CA12CA1CA2CA9GAA
SCHEMBL4101409 0.73 SLC6A2 (0.61) CA12CA1CA2CA9SLC6A2
SCHEMBL3900501 0.70 MEN1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL4101233 0.69 RAB9A (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL4096892 0.69 KMT2A (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL4101594 0.68 NPC1 (0.56) CA12CA1CA2CA9ALDH1A1

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.