SCHEMBL18376382

SCHEMBL18376382

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HTT P42858 2/20 0.54
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.51
GSTP1 P09211 1/20 0.51
GSTM2 P28161 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49

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
Hydrochloric Acid SCHEMBL18763571 0.99 MAPT (0.65) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL21303710 0.96 MAPT (0.64) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18376270 0.94 MAPT (0.62) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18376389 0.92 MAPT (0.59) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18779425 0.91 MAPT (0.67) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18376681 0.90 MAPT (0.57) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18779455 0.87 MAPT (0.54) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18792475 0.86 MAPT (0.64) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18779458 0.85 MAPT (0.63) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18376558 0.85 MAPT (0.66) MAPTSMN1; SMN2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-10 US disclosed
US-20190263820-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 (US) 2019-08-29 US disclosed
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
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
WO-2017007634-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 (US) 2017-01-12 WO 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 (3 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-20190263820-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
US-11548894-B2 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
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.