SCHEMBL17770554

SCHEMBL17770554

COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
KDM4E B2RXH2 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
GAA P10253 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
DCLK1 O15075 1/20 0.66
FES P07332 1/20 0.66
PIM1 P11309 1/20 0.66
CDK2 P24941 1/20 0.66
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
IRAK1 P51617 1/20 0.66
MAP4K2 Q12851 1/20 0.66
NTRK3 Q16288 1/20 0.66
HIPK4 Q8NE63 1/20 0.66
AURKB Q96GD4 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
STK17A Q9UEE5 1/20 0.66
MAP4K5 Q9Y4K4 1/20 0.66

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
SCHEMBL17770405 0.88 MAPT (0.63) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL17770327 0.87 KDM4E (0.69) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL4916732 0.86 NPC1 (0.74) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL17770410 0.85 KDM4E (0.69) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL17770431 0.84 LRRK2 (0.71) MAPTSMN1; SMN2KDM4ELRRK2RAB9A
SCHEMBL19576101 0.81 KDM4E (0.64) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL17770434 0.80 KDM4E (0.58) MAPTSMN1; SMN2KDM4ENPSR1GAA
SCHEMBL30930 0.80 NPC1 (0.73) MAPTSMN1; SMN2KDM4ENPSR1DCLK1
SCHEMBL19612143 0.80 LRRK2 (0.64) MAPTSMN1; SMN2KDM4ENPSR1LRRK2
SCHEMBL15063066 0.79 KDM4E (0.73) MAPTSMN1; SMN2KDM4ENPSR1GAA

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 MAPT 2804/4885SMN1; SMN2 2366/4885KDM4E 800/4885

“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.