SCHEMBL4462532

SCHEMBL4462532

NC(=O)CNCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 2/20 0.46
DPP4 P27487 1/20 0.46
CA9 Q16790 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL5504740 0.84 KDM4E (0.54) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6976863 0.84 KDM4E (0.53) KDM4EALDH1A1CA1CA2L3MBTL1
SCHEMBL25004248 0.84 GFER (0.46) KDM4ECA12CA1CA2TAAR1
SCHEMBL16034258 0.84 KDM4E (0.61) KDM4EALDH1A1CA1CA2HPGD
SCHEMBL4452224 0.82 IDO1 (0.54) CA12CA1CA2CA4L3MBTL1
SCHEMBL4344215 0.81 TAAR1 (0.54) KDM4EALDH1A1CA12CA1CA2
SCHEMBL3705685 0.81 SCN3A (0.55) KDM4EALDH1A1DPP4
SCHEMBL69319 0.79 TAAR1 (0.52) KDM4EALDH1A1CA12CA1CA2
SCHEMBL5224472 0.79 TAAR1 (0.57) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4459745 0.78 SMN1; SMN2 (0.59) KDM4EALDH1A1CA12CA1CA2

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 US disclosed
EP-2045251-A1 COMPOUND THAT CAN INHIBIT UBC13-UEV INTERACTIONS, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC USES Consejo Superior de Investigaciones Cientificas (ES) 2009-04-08 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 KDM4E 3944/4885ALDH1A1 1468/4885CA12 3439/4885

“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.