SCHEMBL149313

SCHEMBL149313

COc1cc(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.51
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
CTSD P07339 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8318576 0.93 KMT2A (0.62) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL5898954 0.85 ALDH1A1 (0.68) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL27961568 0.84 KMT2A (0.55) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL29924325 0.83 KMT2A (0.77) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL28901353 0.83 KMT2A (0.77) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL29924236 0.83 KMT2A (0.77) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL28901354 0.83 KMT2A (0.77) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL29115514 0.81 KMT2A (0.58) ALDH1A1HPGDKMT2AMEN1CTSD
SCHEMBL148634 0.81 ABL1 (0.52) KMT2AMEN1ABL1RIN1CTSD
SCHEMBL8259636 0.79 KMT2A (0.62) ALDH1A1KMT2AMEN1CTSDSMN1; SMN2

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 2930/4885HPGD 4046/4885KMT2A 2296/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 3376/4885HPGD 4224/4885KMT2A 2237/4885

“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.