SCHEMBL7315526

SCHEMBL7315526

O=C(Nc1ccccc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.71
MAPT P10636 6/20 0.67
ORAI1 Q96D31 3/20 0.64
THRB P10828 3/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KCNJ6 P48051 1/20 0.60
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
TRPC3 Q13507 3/20 0.59
TRPC1 P48995 1/20 0.59
STIM1 Q13586 1/20 0.59
TRPC5 Q9UL62 1/20 0.58
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
MAPK14 Q16539 4/20 0.54
EPHX2 P34913 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7319407 0.90 TP53 (0.64) TP53MAPTORAI1THRBNPC1
SCHEMBL7320311 0.90 ORAI1 (0.67) TP53MAPTORAI1THRBNPC1
SCHEMBL7235013 0.88 TP53 (0.62) TP53MAPTORAI1THRBNPC1
SCHEMBL7320557 0.88 ORAI1 (0.79) TP53MAPTORAI1THRBNPC1
SCHEMBL7314472 0.86 TP53 (0.67) TP53MAPTORAI1THRBNPC1
SCHEMBL7233105 0.86 ORAI1 (0.70) TP53MAPTORAI1THRBNPC1
SCHEMBL7313426 0.86 ORAI1 (0.67) TP53MAPTORAI1THRBNPC1
SCHEMBL7328606 0.85 THRB (0.59) TP53MAPTORAI1THRBNPC1
SCHEMBL7314688 0.85 TP53 (0.56) TP53MAPTORAI1THRBNPC1
SCHEMBL7323681 0.84 KDM4E (0.69) TP53MAPTORAI1THRBTRPC3

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
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

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.