SCHEMBL4550847

SCHEMBL4550847

COc1ccc(CN)cc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CA2 P00918 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CYP19A1 P11511 1/20 0.45
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 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
Hydrochloric Acid SCHEMBL2713358 0.98 ATM (0.50) ATMKDM4ECA2HCRTR1HCRTR2
SCHEMBL13073516 0.84 CA2 (0.50) ATMKDM4ECA2HCRTR1HCRTR2
SCHEMBL44393 0.83 ATM (0.70) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL29535675 0.83 ATM (0.70) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL19409880 0.83 ATM (0.70) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL2713113 0.83 TTR (0.51) ATMKDM4ECA2HCRTR1HCRTR2
SCHEMBL6358873 0.83 CA2 (0.48) ATMKDM4ECA2HCRTR1HCRTR2
SCHEMBL2714223 0.83 AR (0.50) ATMKDM4ECA2HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL9726669 0.81 ATM (0.68) ATMKDM4ECA2CYP19A1AOC3
SCHEMBL2713476 0.81 CSNK2A1 (0.40) PPARGPPARDPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 US disclosed
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 ATM 4533/4885KDM4E 253/4885CA2 872/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ATM 4773/4885KDM4E 1168/4885CA2 1011/4885

“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.