SCHEMBL496337

SCHEMBL496337

COC(=O)c1ccc(OC)nc1NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
ALDH1A1 P00352 3/20 0.46
YAP1 P46937 1/20 0.45
SYK P43405 1/20 0.45
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.43
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
CCR4 P51679 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TSHR P16473 1/20 0.41
MAPK8 P45983 3/20 0.40
SELP P16109 2/20 0.40
TYRO3 Q06418 2/20 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
SCHEMBL496141 0.89 POLB (0.54) RIPK1SYKPOLBTDP1AXL
SCHEMBL12936321 0.84 RIPK1 (0.49) RIPK1ALDH1A1YAP1SYKTDP1
SCHEMBL22860320 0.82 RIPK1 (0.47) RIPK1ALDH1A1YAP1SYKTDP1
SCHEMBL4406621 0.80 SYK (0.46) RIPK1ALDH1A1YAP1SYKMAPK8
SCHEMBL2576373 0.76 POLB (0.49) ALDH1A1POLBTDP1KDM4ETSHR
SCHEMBL19708805 0.75 TXNRD1 (0.58) TDP1
SCHEMBL17714461 0.73 HCRTR2 (0.44) ALDH1A1POLBTDP1KDM4E
SCHEMBL15668877 0.73 POLB (0.40) RIPK1ALDH1A1POLBTDP1KDM4E
SCHEMBL28533353 0.73 KMT2A (0.55) RIPK1ALDH1A1SYKKDM4EAXL
SCHEMBL11605385 0.73 TDP1 (0.71) ALDH1A1POLBTDP1KDM4ETSHR

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
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 RIPK1 4492/4885ALDH1A1 1210/4885YAP1 4567/4885

“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.