SCHEMBL19612136

SCHEMBL19612136

O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.61
NCS1 P62166 1/20 0.60
TMPRSS4 Q9NRS4 8/20 0.60
P2RX1 P51575 3/20 0.59
P2RX4 Q99571 3/20 0.59
P2RX7 Q99572 3/20 0.59
MEN1 O00255 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
KMT2A Q03164 1/20 0.56
MYLK Q15746 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
SLC2A1 P11166 1/20 0.56
DHODH Q02127 1/20 0.52
CSNK1D P48730 2/20 0.52
KCNMA1 Q12791 1/20 0.49
AKR1B1 P15121 1/20 0.48

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
SCHEMBL30472744 0.91 CSNK1D (0.62) DYRK1ATMPRSS4P2RX1P2RX4P2RX7
SCHEMBL17770389 0.91 CSNK1D (0.62) DYRK1ATMPRSS4P2RX1P2RX4P2RX7
Monoethanolamine SCHEMBL19612081 0.85 CSNK1D (0.58) DYRK1ATMPRSS4P2RX1P2RX4P2RX7
SCHEMBL19612101 0.84 DYRK1A (0.60) DYRK1ANCS1DHODHCSNK1D
SCHEMBL19627239 0.83 DYRK1A (0.60) DYRK1ATMPRSS4P2RX1MEN1KMT2A
SCHEMBL17770342 0.82 DHODH (0.76) TMPRSS4MEN1KMT2ADHODHCSNK1D
SCHEMBL19612110 0.81 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19612095 0.81 TMPRSS4 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19612098 0.80 NCS1 (0.65) DYRK1ANCS1MAP4K5CSNK1D
SCHEMBL3617783 0.79 DHODH (0.65) NCS1MEN1KMT2ADHODHKCNMA1

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 DYRK1A 4412/4885NCS1 4216/4885TMPRSS4 3693/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 DYRK1A 4289/4885NCS1 4028/4885TMPRSS4 3322/4885

“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.