SCHEMBL7319005

SCHEMBL7319005

Cn1cccc1-c1cc(OC(F)F)n(-c2ccc(N)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.33
KEAP1 Q14145 1/20 0.33
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL7325882 0.83 MEN1 (0.40) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL7327369 0.79 SMN1; SMN2 (0.40) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL7328425 0.71 USP8 (0.38) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL7322949 0.70 PTGS2 (0.51) TSHRALDH1A1PTGS2PTGS1
SCHEMBL3188837 0.61 PCSK9 (0.50) TSHRRAB9ANPC1MAPTALDH1A1
SCHEMBL8434538 0.57 SCN9A (0.35)
SCHEMBL31603854 0.57 ALOX15 (0.41) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL2614367 0.57 ALOX15 (0.59) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL7800845 0.56 PRKCI (0.39) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL6871689 0.56 PRKCI (0.39) SMN1; SMN2TSHRRAB9ANPC1LMNA

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 SMN1; SMN2 4665/4885TSHR 4122/4885RAB9A 4227/4885

“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.