SCHEMBL7315950

SCHEMBL7315950

Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS2 P35354 8/20 0.54
PTGS1 P23219 7/20 0.54
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.47
PDPK1 O15530 1/20 0.44

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
SCHEMBL23358701 0.88 PTGS1 (0.53) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL950143 0.88 PTGS1 (0.64) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL14062925 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PTGS2PTGS1KDM4E
SCHEMBL17064914 0.87 PTGS1 (0.64) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL30677019 0.87 PTGS2 (0.53) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL15919511 0.87 PTGS1 (0.49) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL25873702 0.87 ALDH1A1 (0.56) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL6343163 0.85 PTGS2 (0.67) PTGS2PTGS1TSHRPDPK1
SCHEMBL2000610 0.84 PTGS2 (0.67) ALDH1A1PTGS2PTGS1KDM4EHPGD
SCHEMBL24467972 0.84 PDPK1 (0.56) ALDH1A1PTGS2PTGS1KDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 211/4885SMN1; SMN2 4665/4885PTGS2 158/4885

“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.