SCHEMBL15577193

SCHEMBL15577193

O=C(O)c1cnn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MARS1 P56192 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
PDE5A O76074 1/20 0.40
EPHX2 P34913 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39

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
SCHEMBL29873645 0.89 MAPT (0.45) TP53SMN1; SMN2MARS1L3MBTL1MAPT
SCHEMBL15577159 0.83 MAPT (0.48) TP53SMN1; SMN2L3MBTL1MAPTCNR1
SCHEMBL15578585 0.81 SRD5A2 (0.41) SMN1; SMN2MARS1MAPT
SCHEMBL15577134 0.81 ALDH1A1 (0.51) TP53SMN1; SMN2MARS1L3MBTL1MAPT
SCHEMBL2327827 0.79 KMT2A (0.47)
SCHEMBL23367219 0.77 RPA1 (0.40)
SCHEMBL1752087 0.76 P2RX7 (0.53)
SCHEMBL27656182 0.75 MARS1 (0.45) TP53SMN1; SMN2MARS1L3MBTL1MAPT
SCHEMBL11378183 0.75 ADAMTS7 (0.45) TP53SMN1; SMN2L3MBTL1MAPT
SCHEMBL18910106 0.75 HDAC1 (0.39) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
EP-4058446-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
WO-2021094434-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
WO-2021094434-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed
EP-2895478-B1 TRIAZOLE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-9416127-B2 Triazole carboxamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2016-08-16 US disclosed
EP-2895478-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
US-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-07-09 US disclosed
CN-104603129-A Triazole carboxamide derivatives HOFFMANN LA ROCHE 2015-05-06 CN disclosed
WO-2014041106-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF TAAR1, HCRTR1, TAAR5 TP53 4854/4885SMN1; SMN2 2630/4885MARS1 2979/4885
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAMTS1 TP53 4354/4885SMN1; SMN2 3772/4885MARS1 2571/4885

“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.