SCHEMBL7319762

SCHEMBL7319762

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.58
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
TRPC3 Q13507 2/20 0.54
TRPC1 P48995 1/20 0.54
STIM1 Q13586 1/20 0.54
TRPC5 Q9UL62 1/20 0.53
DDIT3 P35638 2/20 0.51
TP53 P04637 1/20 0.51
SLC2A1 P11166 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL7328443 0.83 ORAI1 (0.62) ORAI1RAB9ANPC1MEN1KMT2A
SCHEMBL7320683 0.81 ORAI1 (0.67) ORAI1MEN1KMT2ATRPC3TRPC1
SCHEMBL7315660 0.81 ORAI1 (0.73) ORAI1RAB9ANPC1MEN1KMT2A
SCHEMBL7325947 0.79 ORAI1 (0.64) ORAI1MEN1KMT2APOLBTRPC3
SCHEMBL7314263 0.79 TP53 (0.62) ORAI1MEN1KMT2APOLBTRPC3
SCHEMBL7316497 0.78 ORAI1 (0.63) ORAI1RAB9ANPC1MEN1KMT2A
SCHEMBL7316872 0.78 ORAI1 (0.63) ORAI1RAB9ANPC1MEN1KMT2A
SCHEMBL7319758 0.78 ORAI1 (0.63) ORAI1TRPC3TRPC1STIM1TRPC5
SCHEMBL7322761 0.77 ORAI1 (0.68) ORAI1RAB9AMEN1KMT2APOLB
SCHEMBL7312879 0.77 ORAI1 (0.65) ORAI1MEN1KMT2APOLBTRPC3

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 3522/4885RAB9A 4227/4885NPC1 1906/4885

“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.