SCHEMBL18779458

SCHEMBL18779458

CCN(CCO)CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.52
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
GSTP1 P09211 2/20 0.49
GSTM2 P28161 2/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL18779425 0.94 MAPT (0.67) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18376270 0.92 MAPT (0.62) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18779428 0.88 MAPT (0.60) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL21303710 0.86 MAPT (0.64) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18376382 0.85 MAPT (0.66) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18779455 0.85 MAPT (0.54) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL18763571 0.85 MAPT (0.65) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18779427 0.82 MAPT (0.67) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18376681 0.81 MAPT (0.57) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL18376389 0.80 MAPT (0.59) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-04-27 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-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS ACAT1, ACAT2, NPC1L1 MAPT 4323/4885SMN1; SMN2 4636/4885KMT2A 1335/4885

“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.