SCHEMBL14927012

SCHEMBL14927012

Cc1cc2cc(-c3cccc(-c4ccccc4)c3)[n+](C)c(N(C)C)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ADORA2A P29274 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ POLB P06746 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ APBA1 Q02410 1/20 0.30

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
SCHEMBL14930654 0.84 EGFR (0.39) HTTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL128882 0.82 HTT (0.41) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL14927083 0.81 HTT (0.40) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL16510442 0.77 SMN1; SMN2 (0.40) HTTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL14926973 0.75 HTT (0.37) HTTKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL16383319 0.70 ACACA (0.38) KDM4ESMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL14927009 0.69 MEN1 (0.42) KDM4ESMN1; SMN2ADORA2AALDH1A1POLB
SCHEMBL16189623 0.69 RAC1 (0.40) HTTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL16383156 0.67 EGFR (0.39) HTTKDM4ESMN1; SMN2ALDH1A1POLB
Iodide SCHEMBL14916506 0.66 EGFR (0.39) HTTKDM4ESMN1; SMN2ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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 (1 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 HTT 3827/4885KDM4E 2572/4885SMN1; SMN2 3496/4885

“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.

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