SCHEMBL495753

SCHEMBL495753

COC(=O)c1cc(CN2CCCCC2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
CHKA P35790 1/20 0.46

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
SCHEMBL589672 0.89 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL378360 0.88 ALDH1A1 (0.61) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13634159 0.88 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2774659 0.87 ALDH1A1 (0.59) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13163098 0.87 KDM4E (0.59) KDM4EALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL2769406 0.86 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13634249 0.86 KDM4E (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL377916 0.85 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13163942 0.85 KDM4E (0.57) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL14966756 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTNPSR1LMNA

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 KDM4E 2205/4885ALDH1A1 1210/4885GAA 4234/4885

“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.