SCHEMBL7328732

SCHEMBL7328732

Cc1c(NC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
LMNA P02545 3/20 0.56
THRB P10828 1/20 0.54
MAPT P10636 6/20 0.52
ORAI1 Q96D31 3/20 0.50
TRPC3 Q13507 3/20 0.50
TRPC5 Q9UL62 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
IDH1 O75874 1/20 0.47
TRPC1 P48995 1/20 0.46
STIM1 Q13586 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7320100 0.86 TP53 (0.60) TP53LMNATHRBMAPTORAI1
SCHEMBL7327031 0.86 TP53 (0.55) TP53THRBMAPTORAI1TRPC3
SCHEMBL7325392 0.85 TP53 (0.61) TP53LMNATHRBMAPTORAI1
SCHEMBL7389042 0.82 TP53 (0.58) TP53THRBMAPTORAI1TRPC3
SCHEMBL7319196 0.82 ORAI1 (0.60) TP53THRBMAPTORAI1TRPC3
SCHEMBL7314688 0.82 TP53 (0.56) TP53LMNATHRBMAPTORAI1
SCHEMBL7322521 0.81 ORAI1 (0.58) TP53LMNATHRBMAPTORAI1
SCHEMBL7314263 0.80 TP53 (0.62) TP53THRBMAPTORAI1TRPC3
SCHEMBL7317766 0.79 ORAI1 (0.56) TP53LMNATHRBMAPTORAI1
SCHEMBL7322111 0.79 TRPV1 (0.56) TP53THRBMAPTORAI1TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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 (1 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 TP53 1903/4885LMNA 4836/4885THRB 3730/4885

“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.