SCHEMBL438973

SCHEMBL438973

CCCN(CC(C)=O)c1cc(Br)c(C#N)s1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.63
MME P08473 1/20 0.63
ALDH1A1 P00352 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL94787 0.91 AR (0.62) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL94331 0.90 AR (0.63) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL94273 0.85 AR (0.58) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL440793 0.83 AR (0.72) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL94279 0.81 MME (0.55) ARMME
SCHEMBL94364 0.81 AR (0.69) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL95327 0.79 AR (0.63) ARMME
SCHEMBL95202 0.78 MME (0.55) ARMMEALDH1A1
SCHEMBL438874 0.77 AR (0.64) ARMME
SCHEMBL94639 0.77 AR (0.60) ARMME

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-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG AR 1/4885MME 1367/4885ALDH1A1 729/4885

“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.