SCHEMBL7320100

SCHEMBL7320100

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.60
MAPT P10636 4/20 0.58
ORAI1 Q96D31 3/20 0.56
TRPC3 Q13507 2/20 0.56
TRPC1 P48995 1/20 0.56
STIM1 Q13586 1/20 0.56
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
TRPC5 Q9UL62 1/20 0.55
THRB P10828 2/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
DHODH Q02127 1/20 0.52
CRACR2A Q9BSW2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL7314263 0.90 TP53 (0.62) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7317766 0.89 ORAI1 (0.56) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7328732 0.86 TP53 (0.57) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7315617 0.86 ORAI1 (0.57) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7318812 0.82 ORAI1 (0.67) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7327964 0.82 ORAI1 (0.74) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7234017 0.82 TP53 (0.86) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7320925 0.80 ORAI1 (0.59) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7321402 0.80 ORAI1 (0.60) TP53MAPTORAI1TRPC3TRPC1
SCHEMBL7328795 0.80 TP53 (0.69) TP53MAPTORAI1TRPC3TRPC1

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 1903/4885MAPT 2674/4885ORAI1 3522/4885

“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.