SCHEMBL495339

SCHEMBL495339

COC(=O)c1cc(Cl)ccc1NC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.65
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
OPRK1 P41145 1/20 0.48
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
ABL1 P00519 1/20 0.47
ALOX15 P16050 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
RIPK1 Q13546 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SLC6A3 Q01959 1/20 0.43
KMT5B Q4FZB7 1/20 0.43
KMT5C Q86Y97 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
SCHEMBL19915082 0.86 RAB9A (0.53) YAP1MEN1KMT2AKDM4ERAB9A
SCHEMBL495622 0.84 SERPINE1 (0.57) YAP1MEN1KMT2AKDM4ERAB9A
SCHEMBL15710527 0.82 YAP1 (0.54) YAP1MEN1KMT2AOPRK1KDM4E
SCHEMBL13280731 0.82 YAP1 (0.54) YAP1MEN1KMT2AOPRK1KDM4E
SCHEMBL8833932 0.82 YAP1 (0.62) YAP1KMT2AOPRK1KDM4EALOX15
SCHEMBL13280405 0.82 YAP1 (0.50) YAP1MEN1KMT2AOPRK1KDM4E
SCHEMBL13279855 0.81 YAP1 (0.52) YAP1MEN1KMT2AOPRK1KDM4E
SCHEMBL11922601 0.80 YAP1 (0.61) YAP1KMT2AKDM4EALOX15ALDH1A1
SCHEMBL19335455 0.80 KDM4E (0.70) YAP1KMT2AKDM4EALOX15ALDH1A1
SCHEMBL18594835 0.80 KDM4E (0.70) YAP1KMT2AKDM4EALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
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 (2 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-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 YAP1 376/4885MEN1 3152/4885KMT2A 158/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 YAP1 4567/4885MEN1 3066/4885KMT2A 2104/4885

“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.