SCHEMBL129809

SCHEMBL129809

COc1ccc(Br)cc1CCNC(=O)Cc1ccc(C)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAPT P10636 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
SCHEMBL179690 0.90 CA1 (0.60) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL128855 0.85 KMT2A (0.52) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL6382633 0.82 CA1 (0.69) KMT2APOLBMEN1L3MBTL1CA1
SCHEMBL17212230 0.81 CA1 (0.60) KMT2APOLBALDH1A1MEN1CA1
SCHEMBL129848 0.80 KMT2A (0.50) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL4075703 0.79 SMN1; SMN2 (0.55) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL6555821 0.78 MTNR1B (0.64) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL6380565 0.76 KMT2A (0.62) KMT2APOLBALDH1A1MEN1L3MBTL1
SCHEMBL3546981 0.76 MAPT (0.72) KMT2APOLBALDH1A1MEN1KDM4E
SCHEMBL4083314 0.75 KDM4E (0.53) KMT2APOLBALDH1A1MEN1KDM4E

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 KMT2A 2296/4885POLB 2698/4885ALDH1A1 2930/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KMT2A 2237/4885POLB 3196/4885ALDH1A1 3376/4885

“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.