SCHEMBL7328443

SCHEMBL7328443

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Br)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.62
TRPC3 Q13507 3/20 0.58
TRPC1 P48995 1/20 0.58
STIM1 Q13586 1/20 0.58
TRPC5 Q9UL62 1/20 0.57
TP53 P04637 4/20 0.54
THRB P10828 1/20 0.53
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 2/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 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
SCHEMBL7319762 0.83 ORAI1 (0.58) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7325947 0.82 ORAI1 (0.64) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7316497 0.81 ORAI1 (0.63) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7317288 0.81 ORAI1 (0.79) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7316257 0.80 ORAI1 (0.59) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7318907 0.80 ORAI1 (0.61) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7319822 0.79 ORAI1 (0.76) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7326819 0.79 TP53 (0.66) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7326051 0.79 ORAI1 (0.63) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7320557 0.78 ORAI1 (0.79) ORAI1TRPC3TRPC1STIM1TRPC5

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 ORAI1 3522/4885TRPC3 4362/4885TRPC1 4287/4885

“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.