SCHEMBL13593299

SCHEMBL13593299

O=C(O)CCCc1cccc(NC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
TP53 P04637 2/20 0.62
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
HPSE Q9Y251 1/20 0.54
SENP1 Q9P0U3 1/20 0.54
NR1H4 Q96RI1 5/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
PPARD Q03181 1/20 0.53
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
HSP90AA1 P07900 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
SCHEMBL10973331 0.89 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL13593298 0.89 MEN1 (0.57) ITGB3ITGA2BKMT2AMEN1TP53
SCHEMBL13593290 0.87 ITGB3 (0.62) ITGB3ITGA2BKMT2AHPSENR1H4
SCHEMBL13814817 0.84 NR1H4 (0.71) KMT2AMEN1NPC1NR1H4HSP90AA1
SCHEMBL13593303 0.81 ITGB3 (0.55) ITGB3ITGA2BKMT2AALDH1A1MAPK1
SCHEMBL13593288 0.81 F2R (0.57) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL30802709 0.81 KMT2A (0.68) KMT2AMEN1TP53ALDH1A1RAB9A
SCHEMBL29200427 0.81 KMT2A (0.68) KMT2AMEN1TP53ALDH1A1RAB9A
SCHEMBL21449753 0.80 KMT2A (0.70) KMT2AMEN1TP53ALDH1A1RAB9A
SCHEMBL30802733 0.80 KMT2A (0.66) KMT2AMEN1TP53ALDH1A1RAB9A

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 ITGB3 1393/4885ITGA2B 997/4885KMT2A 4430/4885

“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.