SCHEMBL17770536

SCHEMBL17770536

COc1ccc(Cl)cc1C(=O)Nc1ncc(C#N)s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.60
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
FFAR2 O15552 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KLF5 Q13887 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL345091 0.85 KCNMA1 (0.67) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17770446 0.84 TMPRSS4 (0.59) KCNMA1FFAR2
SCHEMBL345233 0.84 KCNMA1 (0.65) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL343717 0.83 KCNMA1 (0.64) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL345604 0.81 KCNMA1 (0.61) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5835868 0.81 KCNMA1 (0.61) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17770402 0.76 TMPRSS4 (0.71) KCNMA1KDM4EALDH1A1RXFP1MEN1
SCHEMBL17770324 0.76 CHEK1 (0.71) KCNMA1ALDH1A1RXFP1MEN1KMT2A
SCHEMBL17770410 0.76 KDM4E (0.69) KCNMA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL344352 0.73 ALDH1A1 (0.67) KCNMA1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
EP-3220904-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Rutgers, the State University of New Jersey (US) 2017-09-27 EP disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 WO disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 WO 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-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER HADHA, HADHB, TFAM KCNMA1 3793/4885KDM4E 800/4885ALDH1A1 631/4885

“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.