SCHEMBL153172

SCHEMBL153172

COc1cccc(CCNC(=O)Cc2ccc(OC)c(OC)c2Br)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 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
SCHEMBL128868 0.89 TAAR1 (0.50) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL195014 0.86 TAAR1 (0.54) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL7367698 0.82 ALDH1A1 (0.54) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL151056 0.81 TAAR1 (0.55) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL6788690 0.81 POLB (0.68) TAAR1KMT2APOLBCA1CA2
SCHEMBL18183555 0.81 CA12 (0.60) TAAR1CA12CA1CA2CA14
SCHEMBL6485062 0.80 CA12 (0.56) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL24541759 0.80 CA1 (0.57) ALDH1A1KMT2APOLBCA1CA2
SCHEMBL17150039 0.79 CA12 (0.61) TAAR1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL12877288 0.78 MTNR1A (0.44) TAAR1ALDH1A1KMT2AKDM4EPOLB

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 9 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-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-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
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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 TAAR1 4232/4885ALDH1A1 2930/4885KMT2A 2296/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TAAR1 4425/4885ALDH1A1 3376/4885KMT2A 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.