SCHEMBL7327031

SCHEMBL7327031

Cc1ccc(NC(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
TRPC3 Q13507 3/20 0.53
MAPT P10636 5/20 0.53
ORAI1 Q96D31 3/20 0.51
TRPC5 Q9UL62 1/20 0.51
THRB P10828 2/20 0.50
TRPC1 P48995 1/20 0.47
STIM1 Q13586 1/20 0.47
MAPK14 Q16539 2/20 0.47
NPC1 O15118 1/20 0.45
CRACR2A Q9BSW2 1/20 0.43
PTGS2 P35354 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL7319196 0.89 ORAI1 (0.60) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7328732 0.86 TP53 (0.57) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7315617 0.84 ORAI1 (0.57) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7389042 0.83 TP53 (0.58) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7322521 0.82 ORAI1 (0.58) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7322111 0.81 TRPV1 (0.56) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7314472 0.81 TP53 (0.67) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7318806 0.79 TP53 (0.62) TP53TRPC3MAPTORAI1TRPC5
SCHEMBL7314688 0.79 TP53 (0.56) TP53TRPC3MAPTORAI1THRB
SCHEMBL7320100 0.77 TP53 (0.60) TP53TRPC3MAPTORAI1TRPC5

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 4 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
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 1903/4885TRPC3 4362/4885MAPT 2674/4885

“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.