SCHEMBL130060

SCHEMBL130060

COc1cc(CCNC(=O)Cc2cc(C)c(C)c(OC)c2)ccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL194757 0.89 LMNA (0.59) SMN1; SMN2MAPTLMNATAAR1CA1
SCHEMBL128950 0.89 KMT2A (0.54) SMN1; SMN2MAPTLMNATAAR1CA1
SCHEMBL147536 0.85 SMN1; SMN2 (0.64) SMN1; SMN2MAPTLMNACA1CA2
SCHEMBL129886 0.83 LMNA (0.54) MAPTLMNACA1CA2KMT2A
SCHEMBL5094513 0.81 SMN1; SMN2 (0.75) SMN1; SMN2MAPTLMNAPKMCA1
SCHEMBL129942 0.80 CA1 (0.49) MAPTLMNAPKMCA1CA2
SCHEMBL129920 0.78 CA1 (0.50) LMNACA1CA2ALDH1A1POLB
SCHEMBL129917 0.78 POLB (0.50) SMN1; SMN2MAPTLMNAPKMCA1
SCHEMBL127913 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTLMNACA1CA2
SCHEMBL129058 0.77 THRB (0.46) SMN1; SMN2MAPTCA1CA2ALDH1A1

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 SMN1; SMN2 3296/4885MAPT 4740/4885LMNA 3821/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L SMN1; SMN2 3143/4885MAPT 4773/4885LMNA 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.