SCHEMBL17077889

SCHEMBL17077889

CC(=O)c1ccc(Nc2nc(C(F)(F)F)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 5/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ SYK P43405 2/20 0.44
▸ MAPK1 P28482 6/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ LMNA P02545 3/20 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
SCHEMBL27226540 0.88 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL17077769 0.83 KMT2A (0.57) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL17077895 0.82 MAPT (0.53) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL13730151 0.81 GSK3B (0.56) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL17077800 0.81 SYK (0.46) MAPTSYKMAPK1NPC1RAB9A
SCHEMBL17475834 0.78 FGFR4 (0.44) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL31455842 0.76 BRD4 (0.47) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL6805283 0.75 MAPT (0.70) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL27226363 0.72 MEN1 (0.56) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL5745561 0.72 PGK1 (0.47) MEN1KMT2AMAPTCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 — — US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 — — US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 — — EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 — — 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 MEN1 776/4885KMT2A 1497/4885MAPT 2779/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 MEN1 776/4885KMT2A 1497/4885MAPT 2779/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 MEN1 841/4885KMT2A 1562/4885MAPT 2733/4885

“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.

Send feedback