SCHEMBL606164

SCHEMBL606164

C=C(Br)CN(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PYCR1 P32322 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
BLM P54132 1/20 0.46
AOC3 Q16853 1/20 0.45
KDM4E B2RXH2 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL10246599 0.82 ALDH1A1 (0.50) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL10283326 0.80 ALDH1A1 (0.41) ALDH1A1TSHRAOC3MEN1KMT2A
SCHEMBL9779259 0.79 MAOA (0.60) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL6534426 0.78 CARM1 (0.46) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL3332610 0.77 ALDH1A1 (0.58) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL26646735 0.77 ALDH1A1 (0.45) CARM1PRMT6PRMT8ALDH1A1TSHR
Dibemethine SCHEMBL276863 0.76 ALDH1A1 (0.70) CARM1PRMT6PRMT8ALDH1A1TSHR
Dibemethine SCHEMBL10542007 0.76 ALDH1A1 (0.70) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL304452 0.76 RAB9A (0.55) CARM1PRMT6PRMT8ALDH1A1TSHR
SCHEMBL6444116 0.74 RAB9A (0.53) CARM1PRMT6PRMT8ALDH1A1TSHR

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-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 CYP2C19 3750/4885CARM1 4337/4885PRMT6 4345/4885

“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.