SCHEMBL19630784

SCHEMBL19630784

CC(C)(C)OC(=O)Nc1nc2c(F)cc(C(F)(F)F)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.51
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
DYRK1A Q13627 2/20 0.44
CSNK1D P48730 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL19630737 0.88 LCK (0.51) LCKDYRK1ACSNK1DCACNA1HCACNA1B
SCHEMBL19630788 0.84 LCK (0.52) LCKNPC1RAB9AMEN1ALDH1A1
SCHEMBL19631041 0.82 LCK (0.53) LCKNPC1RAB9AMAPT
SCHEMBL19630738 0.81 LCK (0.51) LCKNPC1RAB9AMEN1ALDH1A1
SCHEMBL30810269 0.80 LCK (0.44) LCKNPC1RAB9ADYRK1ACSNK1D
SCHEMBL30810365 0.79 LCK (0.46) LCKDYRK1ACSNK1DCACNA1HCACNA1B
SCHEMBL19630789 0.77 LCK (0.52) LCKNPC1RAB9AMEN1ALDH1A1
SCHEMBL30231217 0.76 LCK (0.47) LCKNPC1RAB9ADYRK1AMAPT
SCHEMBL28902818 0.76 LCK (0.47) LCKNPC1RAB9ADYRK1AMAPT
SCHEMBL19631099 0.76 LCK (0.44) LCKNPC1RAB9AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458454-B1 2-HYDROXY-N-(BENZO[D]THIAZOL-2-YL)BENZAMIDE DERIVATIVES AS MITOCHONDRIAL UNCOUPLERS FOR THE TREATMENT OF METABOLIC DISEASES AND CANCER UNIV RUTGERS (US) 2021-11-24 EP disclosed
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 LCK 1239/4885NPC1 719/4885RAB9A 4289/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 LCK 1003/4885NPC1 684/4885RAB9A 4019/4885

“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.