SCHEMBL19627232

SCHEMBL19627232

Cc1cc(Cl)cc(C(=O)Nc2nc3c(C)cccc3s2)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
KDM4E B2RXH2 5/20 0.62
POLB P06746 3/20 0.62
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 4/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALOX15 P16050 2/20 0.56
USP2 O75604 1/20 0.56
MCL1 Q07820 1/20 0.56
ESR2 Q92731 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ATM Q13315 1/20 0.53
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL19612116 0.88 MEN1 (0.51) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19566129 0.86 KMT2A (0.62) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19627234 0.83 CTSD (0.47) KMT2AMEN1KDM4EPOLBALDH1A1
Monoethanolamine SCHEMBL28921820 0.83 MEN1 (0.46) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19627273 0.81 NPC1 (0.52) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19566127 0.81 KDM4E (0.60) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2754060 0.81 KMT2A (0.67) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2753869 0.80 KMT2A (0.70) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19627228 0.80 KDM4E (0.48) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL19612140 0.80 RAB9A (0.55) KMT2AMEN1KDM4EALDH1A1HPGD

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 KMT2A 1759/4885MEN1 3692/4885KDM4E 1333/4885

“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.