SCHEMBL18779474

SCHEMBL18779474

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

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
PDE7A Q13946 2/20 0.72
ALDH1A1 P00352 5/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.58
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.53
BCL2L1 Q07817 2/20 0.50
MITF O75030 1/20 0.50
MAPK1 P28482 1/20 0.50
IDO1 P14902 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
SCHEMBL18779457 0.88 ALDH1A1 (0.64) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL16327556 0.88 MAPT (0.78) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL18779459 0.86 ALDH1A1 (0.63) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL9535266 0.85 MAPT (0.62) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL18376682 0.83 GSTP1 (0.60) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL6039969 0.82 MAPT (0.69) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL810705 0.80 PDE7A (0.65) MAPTPDE7AALDH1A1L3MBTL1LMNA
SCHEMBL6515589 0.79 MAPT (0.68) MAPTPDE7AALDH1A1L3MBTL1POLB
SCHEMBL18792475 0.78 MAPT (0.64) MAPTPDE7AALDH1A1L3MBTL1LMNA
SCHEMBL1455361 0.78 PDE7A (0.65) MAPTPDE7AALDH1A1L3MBTL1POLB

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 4323/4885PDE7A 3003/4885ALDH1A1 1313/4885

“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.