SCHEMBL7326166

SCHEMBL7326166

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
ORAI1 Q96D31 3/20 0.63
TRPC3 Q13507 3/20 0.60
TRPC5 Q9UL62 1/20 0.60
TRPC1 P48995 1/20 0.59
STIM1 Q13586 1/20 0.59
TP53 P04637 2/20 0.58
MAPT P10636 3/20 0.55
THRB P10828 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 3/20 0.50
EPHX2 P34913 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CRACR2A Q9BSW2 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 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
SCHEMBL7320077 0.83 TP53 (0.67) ORAI1TRPC3TRPC5TRPC1STIM1
SCHEMBL7316335 0.81 ORAI1 (0.83) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7320557 0.81 ORAI1 (0.79) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7327885 0.81 ORAI1 (0.65) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7326147 0.81 ORAI1 (0.68) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7321175 0.81 ORAI1 (0.65) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7327214 0.81 ORAI1 (0.53) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7327206 0.81 ORAI1 (0.53) NPC1RAB9AORAI1TRPC3TRPC5
SCHEMBL7322557 0.81 ORAI1 (0.77) ORAI1TRPC3TRPC5TRPC1STIM1
SCHEMBL7315607 0.81 ORAI1 (0.62) ORAI1TRPC3TRPC5TRPC1STIM1

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 NPC1 1906/4885RAB9A 4227/4885ORAI1 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.