SCHEMBL19627237

SCHEMBL19627237

Cc1cc(C(F)(F)F)c2nc(NC(=O)c3cc(Cl)cc(C)c3O)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
RORC P51449 1/20 0.43
CTSD P07339 1/20 0.41
HPGD P15428 3/20 0.40
BCL2L1 Q07817 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL19612096 0.91 NPC1 (0.45) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19612116 0.88 MEN1 (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19627228 0.86 KDM4E (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19631082 0.86 TMPRSS4 (0.55) KDM4EALDH1A1MAPTRORCMEN1
SCHEMBL19627273 0.85 NPC1 (0.52) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19631014 0.84 ALDH1A1 (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
Monoethanolamine SCHEMBL28921820 0.82 MEN1 (0.46) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19631017 0.81 MEN1 (0.51) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19612140 0.80 RAB9A (0.55) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19612077 0.79 NCS1 (0.45) KDM4EALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 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-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 KDM4E 1333/4885ALDH1A1 446/4885MAPT 1924/4885

“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.