SCHEMBL19612142

SCHEMBL19612142

O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TMPRSS4 Q9NRS4 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK1 P04629 1/20 0.45
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
F10 P00742 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4498909 0.93 POLB (0.53) TP53ALDH1A1GAAKDM4ETMPRSS4
SCHEMBL6101632 0.92 MAPT (0.53) TP53ALDH1A1GAAKDM4ELMNA
SCHEMBL3496921 0.90 TMPRSS4 (0.58) TP53ALDH1A1GAAKDM4ETMPRSS4
SCHEMBL19627242 0.86 ALDH1A1 (0.50) ALDH1A1GAALMNAKMT2APOLB
SCHEMBL13698751 0.85 TMPRSS4 (0.55) TP53ALDH1A1GAAKDM4ETMPRSS4
SCHEMBL6099753 0.84 MAPT (0.56) ALDH1A1GAAKDM4ELMNAHPGD
SCHEMBL6103190 0.84 POLB (0.52) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL19612092 0.83 ALDH1A1 (0.47) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL19612172 0.83 SMN1; SMN2 (0.46) TP53GAAKDM4EKMT2ANTRK1
SCHEMBL13189425 0.82 KMT2A (0.58) TP53ALDH1A1KDM4ELMNAKMT2A

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 11 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
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
CN-109415363-B Novel mitochondrial uncoupling agents for the treatment of metabolic diseases and cancer 罗格斯,新泽西州立大学 2021-07-20 CN disclosed
EP-3458454-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Rutgers, The State University of New Jersey (US) 2019-03-27 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-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
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
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
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 WO disclosed
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 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 (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 TP53 231/4885ALDH1A1 463/4885GAA 468/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 TP53 263/4885ALDH1A1 446/4885GAA 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.