SCHEMBL13593288

SCHEMBL13593288

O=C(O)CCCc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.57
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NLRP3 Q96P20 1/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
PPARD Q03181 1/20 0.52
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL13814819 0.86 SMN1; SMN2 (0.64) F2RKMT2ANPC1RAB9ANLRP3
SCHEMBL13593293 0.85 MEN1 (0.58) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL10973331 0.83 ITGB3 (0.64) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL31661819 0.82 ALOX15 (0.64) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL5668315 0.82 ALOX15 (0.64) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL29200396 0.81 F2R (0.65) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL30802667 0.81 F2R (0.65) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL13593299 0.81 ITGB3 (0.62) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL29200425 0.80 F2R (0.64) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL30802666 0.80 F2R (0.64) F2RKMT2ANPC1RAB9AALDH1A1

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
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP F2R 2281/4885KMT2A 4430/4885NPC1 39/4885

“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.