SCHEMBL127913

SCHEMBL127913

COc1cc(CCNC(=O)Cc2ccc(C)c(C)c2)ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 5/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL16189625 0.91 SMN1; SMN2 (0.66) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL128950 0.86 KMT2A (0.54) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL129942 0.85 CA1 (0.49) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL129920 0.84 CA1 (0.50) ALDH1A1LMNACA1CA2
SCHEMBL129917 0.83 POLB (0.50) LMNASMN1; SMN2MAPTCA1CA2
SCHEMBL5899127 0.81 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL17212230 0.81 CA1 (0.60) ALDH1A1LMNAMEN1KMT2ACA1
SCHEMBL127928 0.80 CA1 (0.48) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL6382633 0.80 CA1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL129058 0.78 THRB (0.46) ALDH1A1SMN1; SMN2MAPTHTTCA1

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 ALDH1A1 2930/4885LMNA 3821/4885SMN1; SMN2 3296/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 3376/4885LMNA 3733/4885SMN1; SMN2 3143/4885

“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.