SCHEMBL3282201

SCHEMBL3282201

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Cl)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.73
TRPC3 Q13507 3/20 0.62
TRPC1 P48995 1/20 0.62
STIM1 Q13586 1/20 0.62
TP53 P04637 2/20 0.56
TRPC5 Q9UL62 1/20 0.56
TMPRSS4 Q9NRS4 3/20 0.55
P2RX1 P51575 2/20 0.55
P2RX4 Q99571 2/20 0.55
P2RX7 Q99572 2/20 0.55
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.50
KLKB1 P03952 1/20 0.49
PLAU P00749 2/20 0.48
F10 P00742 2/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
CRACR2A Q9BSW2 4/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3277387 0.92 ORAI1 (0.73) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7326193 0.89 ORAI1 (0.73) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7320744 0.88 ORAI1 (0.74) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7323117 0.86 ORAI1 (0.68) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7323347 0.86 TP53 (0.67) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7318812 0.85 ORAI1 (0.67) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3277610 0.85 ORAI1 (0.63) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL5208645 0.84 ORAI1 (1.00) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL7321880 0.84 ORAI1 (1.00) ORAI1TRPC3TRPC1STIM1TP53
SCHEMBL3278096 0.84 ORAI1 (0.66) ORAI1TRPC3TRPC1STIM1TP53

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 14 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
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
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 (8 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 ORAI1 3947/4885TRPC3 2894/4885TRPC1 2597/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 ORAI1 4425/4885TRPC3 3699/4885TRPC1 4178/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ORAI1 917/4885TRPC3 827/4885TRPC1 1077/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT ORAI1 989/4885TRPC3 1072/4885TRPC1 1340/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 ORAI1 376/4885TRPC3 1424/4885TRPC1 980/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1018/4885TRPC3 916/4885TRPC1 1159/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ORAI1 1034/4885TRPC3 891/4885TRPC1 1132/4885
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.