SCHEMBL18779397

SCHEMBL18779397

Cc1ccc(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
LMNA P02545 2/20 0.73
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 7/20 0.62
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALOX12 P18054 1/20 0.58
PDE7A Q13946 2/20 0.57
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.53
BCL2L1 Q07817 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
IDO1 P14902 1/20 0.49
PDE7B Q9NP56 1/20 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
SCHEMBL18779432 0.88 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16327556 0.88 MAPT (0.78) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL18779459 0.86 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2959825 0.82 MAPT (0.71) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2018194 0.82 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2018440 0.81 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9731903 0.80 MAPT (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL6515444 0.79 APEX1 (0.51) ALDH1A1LMNAMAPTPDE7AGAA
SCHEMBL810183 0.77 MAPT (0.64) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1923978 0.77 BCL2L1 (0.74) ALDH1A1LMNAMEN1KMT2AMAPT

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 ALDH1A1 1313/4885LMNA 2242/4885MEN1 603/4885

“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.