SCHEMBL4096892

SCHEMBL4096892

O=C(O)Nn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NOTUM Q6P988 1/20 0.47
SLC6A2 P23975 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 1/20 0.44
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL4108478 0.86 CA12 (0.52) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL4114440 0.83 LMNA (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL30371592 0.83 NOTUM (0.55) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL10973432 0.83 NOTUM (0.55) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL31414100 0.83 LMNA (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL4106629 0.81 CA12 (0.52) KMT2ATSHRRAB9AL3MBTL1SLC6A2
SCHEMBL4107948 0.80 LIPE (0.43) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL2870562 0.79 CA12 (0.44) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL8117674 0.79 MAPK1 (0.55) KMT2ATSHRRAB9AL3MBTL1NOTUM
SCHEMBL8836614 0.79 LMNA (0.47) KMT2ATSHRRAB9AL3MBTL1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286634-A Synthetic method of thiocyano tetrahydropyrrolo indoline compound 常州工程职业技术学院 2022-11-04 CN disclosed
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 KMT2A 2091/4885TSHR 765/4885RAB9A 1050/4885

“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.