SCHEMBL440793

SCHEMBL440793

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.72
MME P08473 1/20 0.72
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL94364 0.88 AR (0.69) ARMMEMAPTSMN1; SMN2ALDH1A1
SCHEMBL96572 0.84 AR (0.64) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL438874 0.84 AR (0.64) ARMMEMAPTSMN1; SMN2
SCHEMBL94331 0.83 AR (0.63) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL95327 0.83 AR (0.63) ARMME
SCHEMBL94819 0.83 AR (0.63) ARMMEMAPTALDH1A1
SCHEMBL438973 0.83 AR (0.63) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL440332 0.83 AR (0.51) ARMMEMAPTSMN1; SMN2
SCHEMBL94787 0.82 AR (0.62) ARMMEALDH1A1ALDH3A1ALDH1A3
SCHEMBL94639 0.81 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 1367/4885MAPT 1246/4885

“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.