SCHEMBL148634

SCHEMBL148634

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
EPHX2 P34913 1/20 0.51
LDHA P00338 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK10 P53779 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9988698 0.84 LDHA (0.44) ABL1RIN1LDHAKMT2AMEN1
SCHEMBL149313 0.81 ALDH1A1 (0.56) ABL1RIN1EPHX2KMT2AMEN1
SCHEMBL17144912 0.81 LDHA (0.60) ABL1RIN1EPHX2LDHAKMT2A
SCHEMBL9186977 0.79 LDHA (0.59) EPHX2LDHAKMT2AMEN1LMNA
SCHEMBL28067038 0.77 LDHA (0.64) EPHX2LDHAKMT2AMEN1LMNA
SCHEMBL146690 0.77 CA1 (0.69) KMT2AMEN1CYP3A4MAPTCYP2C19
SCHEMBL8259636 0.76 KMT2A (0.62) EPHX2LDHAKMT2AMEN1LMNA
SCHEMBL21156696 0.74 EPHX2 (0.64) EPHX2KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL31236975 0.73 ABL1 (0.56) ABL1RIN1EPHX2KMT2ALMNA
SCHEMBL9829918 0.73 KMT2A (0.65) EPHX2KMT2AMEN1LMNASMN1; 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 4 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
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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 ABL1 1069/4885RIN1 172/4885EPHX2 1941/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ABL1 834/4885RIN1 243/4885EPHX2 1937/4885

“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.