SCHEMBL7323968

SCHEMBL7323968

N#Cc1cccc(C(=O)Nc2cccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.53
THRB P10828 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KLKB1 P03952 5/20 0.51
GRM5 P41594 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPC1 P48995 1/20 0.45
TRPC3 Q13507 1/20 0.45
STIM1 Q13586 1/20 0.45

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
SCHEMBL7312616 0.91 ORAI1 (0.59) ORAI1THRBRXFP1KLKB1TP53
SCHEMBL7326066 0.91 ORAI1 (0.64) ORAI1THRBRXFP1GRM5MAPT
SCHEMBL7319850 0.89 ORAI1 (0.64) ORAI1THRBRXFP1KLKB1MAPT
SCHEMBL7321659 0.83 EPHX2 (0.54) ORAI1THRBRXFP1GRM5MAPT
SCHEMBL7327450 0.82 ORAI1 (0.63) ORAI1THRBKLKB1MAPTSMN1; SMN2
SCHEMBL7328606 0.82 THRB (0.59) ORAI1THRBKLKB1GRM5MAPT
SCHEMBL7326377 0.79 ORAI1 (0.74) ORAI1THRBMAPTTP53TRPC1
SCHEMBL7318446 0.79 ORAI1 (0.74) ORAI1THRBMAPTTP53TRPC1
SCHEMBL18604889 0.79 KLKB1 (0.64) KLKB1
SCHEMBL31067428 0.79 KLKB1 (0.64) KLKB1

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 2 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-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 ORAI1 3522/4885THRB 3730/4885RXFP1 1889/4885

“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.