SCHEMBL604151

SCHEMBL604151

C=C(Br)CN1CCCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
STAT6 P42226 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SIGMAR1 Q99720 4/20 0.46
CHKA P35790 4/20 0.41
CA2 P00918 1/20 0.39
NCF1 P14598 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10283317 0.92 ALDH1A1 (0.76) ALDH1A1STAT6SMN1; SMN2SIGMAR1KDM4E
SCHEMBL10283316 0.85
SCHEMBL10246596 0.82 SIGMAR1 (0.47) ALDH1A1STAT6SMN1; SMN2SIGMAR1CHKA
SCHEMBL10283309 0.80
SCHEMBL10283311 0.80
SCHEMBL2554621 0.78 ALDH1A1 (0.75) ALDH1A1STAT6SMN1; SMN2POLBTDP1
SCHEMBL10283324 0.78 ALDH1A1 (0.75) ALDH1A1STAT6SMN1; SMN2POLBTDP1
SCHEMBL771676 0.76 CHKA (0.47) ALDH1A1SIGMAR1CHKACA2NCF1
Potassium Ion SCHEMBL604175 0.74 SIGMAR1 (0.42) ALDH1A1STAT6SMN1; SMN2SIGMAR1CHKA
SCHEMBL12605217 0.73 SIGMAR1 (0.56) ALDH1A1SIGMAR1CHKACA2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 US disclosed
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 US disclosed
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B ALDH1A1 3325/4885STAT6 3176/4885SMN1; SMN2 941/4885

“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.