SCHEMBL128950

SCHEMBL128950

COc1cc(CCNC(=O)Cc2ccc(C)c(C)c2)ccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL147536 0.90 SMN1; SMN2 (0.64) KMT2AMEN1LMNASMN1; SMN2CA1
SCHEMBL129920 0.89 CA1 (0.50) LMNACA1CA2POLBALDH1A1
SCHEMBL130060 0.89 SMN1; SMN2 (0.55) KMT2ALMNASMN1; SMN2CA1CA2
SCHEMBL129942 0.89 CA1 (0.49) LMNACA1CA2POLBALDH1A1
SCHEMBL129058 0.87 THRB (0.46) SMN1; SMN2CA1CA2TP53POLB
SCHEMBL129917 0.87 POLB (0.50) LMNASMN1; SMN2CA1CA2POLB
SCHEMBL17212230 0.86 CA1 (0.60) KMT2AMEN1LMNACA1CA2
SCHEMBL127913 0.86 ALDH1A1 (0.55) KMT2AMEN1LMNASMN1; SMN2CA1
SCHEMBL127928 0.85 CA1 (0.48) LMNACA1CA2POLBALDH1A1
SCHEMBL6382633 0.85 CA1 (0.69) KMT2AMEN1L3MBTL1CA1CA2

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 2296/4885MEN1 623/4885LMNA 3821/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KMT2A 2237/4885MEN1 580/4885LMNA 3733/4885

“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.