SCHEMBL17050829

SCHEMBL17050829

O=C(O)/C(F)=C/c1ccc(Br)nc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.33
P4HTM Q9NXG6 1/20 0.33
FDFT1 P37268 1/20 0.32
AKR1C3 P42330 1/20 0.32
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRR1 P24046 1/20 0.31
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL17050828 0.85 ALDH1A1 (0.33) TBXAS1FDFT1AKR1C3KDM4EALDH1A1
SCHEMBL17273936 0.81 AKR1C3 (0.53) TBXAS1FDFT1AKR1C3RAB9A
SCHEMBL1914097 0.77 TBXAS1 (0.50) TBXAS1AKR1C3
SCHEMBL6880003 0.77 FDFT1 (0.31) FDFT1
SCHEMBL17050827 0.76 MEN1 (0.33) RAB9A
SCHEMBL7609031 0.76 AKR1C3 (0.45) AKR1C3KDM4ETP53
SCHEMBL7071605 0.76 AKR1C3 (0.45) AKR1C3KDM4ETP53
SCHEMBL7071603 0.76 AKR1C3 (0.45) AKR1C3KDM4ETP53
SCHEMBL6881217 0.75 FDFT1 (0.30) FDFT1
SCHEMBL6881208 0.75 FDFT1 (0.30) FDFT1

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 TBXAS1 1110/4885P4HTM 3469/4885FDFT1 366/4885

“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.