SCHEMBL2214528

SCHEMBL2214528

CCCC(C)(CBr)CNC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2214465 0.88 LMNA (0.41) LMNAHSD17B10ALDH1A1KDM4CTSHR
SCHEMBL6730282 0.77 ALDH1A1 (0.38) LMNAHSD17B10ALDH1A1KDM4CTDP1
SCHEMBL6730280 0.72 KDM4C (0.37) LMNAHSD17B10ALDH1A1KDM4CCYP2D6
SCHEMBL23770097 0.71 LMNA (0.41) LMNAHSD17B10ALDH1A1KDM4CTSHR
SCHEMBL21813306 0.70 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL10900663 0.69 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL10426442 0.68 ALDH1A1 (0.35) ALDH1A1KDM4C
SCHEMBL1934610 0.67
SCHEMBL6729276 0.66 SMN1; SMN2 (0.38) LMNAHSD17B10ALDH1A1KDM4CTSHR
SCHEMBL23173503 0.65 TDP1 (0.44) LMNAHSD17B10ALDH1A1TSHRCYP3A4

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B LMNA 4298/4885HSD17B10 243/4885ALDH1A1 451/4885

“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.