SCHEMBL149155

SCHEMBL149155

COc1cc(CCNC(=O)Cc2ccc(OC)c(OC)c2OC)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL6377354 0.91 MEN1 (0.66) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL13076594 0.86 LMNA (0.69) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL146690 0.84 CA1 (0.69) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7367698 0.83 ALDH1A1 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL24541759 0.82 CA1 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL148633 0.82 KMT2A (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6381209 0.81 CA1 (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL25696820 0.81 MEN1 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL192786 0.80 LMNA (0.61) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL11444921 0.80 LMNA (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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 KMT2A 2296/4885MEN1 623/4885CYP1A2 468/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KMT2A 2237/4885MEN1 580/4885CYP1A2 583/4885

“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.