SCHEMBL19630775

SCHEMBL19630775

O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cc(Cl)ccc1ONCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DHODH Q02127 1/20 0.41
DCLK1 O15075 1/20 0.41
FES P07332 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
MAP4K2 Q12851 1/20 0.41
NTRK3 Q16288 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41

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
SCHEMBL19630916 0.86 KMT2A (0.43) KDM4ENPSR1DHODHTMIGD3ADORA1
SCHEMBL17770523 0.86 KDM4E (0.56) KDM4ENPSR1GAARXFP1DCLK1
SCHEMBL17770507 0.83 KDM4E (0.44) KDM4ENPSR1GAARXFP1DHODH
SCHEMBL19630768 0.81 CSNK1D (0.55) KDM4ENPSR1GAARXFP1DCLK1
SCHEMBL17770319 0.81 TMPRSS4 (0.55) KDM4EDHODHMAP4K5POLA1HPGD
SCHEMBL31237407 0.81 TMPRSS4 (0.55) KDM4EDHODHMAP4K5POLA1HPGD
Monoethanolamine SCHEMBL19612104 0.81 TMPRSS4 (0.48) KDM4EDHODHMAP4K5POLA1HPGD
SCHEMBL19630790 0.81 RAB9A (0.51) KDM4ENPSR1GAARXFP1DCLK1
Monoethanolamine SCHEMBL28921820 0.76 MEN1 (0.46) KDM4ENPSR1DHODHTMIGD3ADORA1
SCHEMBL19612116 0.76 MEN1 (0.51) KDM4ENPSR1DHODHTMIGD3ADORA1

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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
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 (2 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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 KDM4E 1323/4885NPSR1 4365/4885GAA 468/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 KDM4E 1333/4885NPSR1 4204/4885GAA 572/4885

“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.