SCHEMBL19627239

SCHEMBL19627239

Cc1ccc2sc(NC(=O)c3cc(Cl)ccc3O)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.60
PTPN7 P35236 1/20 0.57
PTPN12 Q05209 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.57
DHODH Q02127 1/20 0.55
P2RX1 P51575 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
KCNMA1 Q12791 2/20 0.53
CASP3 P42574 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL19627243 0.91 NPC1 (0.63) DYRK1ACASP3SENP7KDM4EMEN1
SCHEMBL19627224 0.85 DYRK1A (0.58) DYRK1APTPN7PTPN12PTPN22DHODH
SCHEMBL17770342 0.84 DHODH (0.76) DHODHTMPRSS4KCNMA1CASP3SENP7
SCHEMBL18418449 0.84 DYRK1A (0.62) DYRK1APTPN7PTPN12PTPN22CASP3
SCHEMBL19612136 0.83 DYRK1A (0.61) DYRK1ADHODHP2RX1TMPRSS4KCNMA1
SCHEMBL3617783 0.82 DHODH (0.65) DHODHKCNMA1CASP3SENP7KDM4E
SCHEMBL19194695 0.82 SCD (0.66) DYRK1ADHODHCASP3SENP7MEN1
SCHEMBL19627233 0.81 MAPT (0.58) P2RX1TMPRSS4KCNMA1KDM4EMEN1
SCHEMBL15916250 0.79 RAB9A (0.67) P2RX1TMPRSS4KCNMA1MEN1NPC1
SCHEMBL19627241 0.79 KCNMA1 (0.52) DHODHP2RX1TMPRSS4KCNMA1CASP3

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 DYRK1A 4289/4885PTPN7 1525/4885PTPN12 869/4885

“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.