SCHEMBL6832809

SCHEMBL6832809

CSc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.51
SMN1; SMN2 Q16637 10/20 0.51
MAPT P10636 9/20 0.51
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
PKM P14618 3/20 0.45
CDK5 Q00535 1/20 0.43
PAX8 Q06710 1/20 0.43
CDK5R1 Q15078 1/20 0.43
RCE1 Q9Y256 1/20 0.43
GLA P06280 6/20 0.42
GAA P10253 6/20 0.42
HPGD P15428 4/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL6832811 1.00 TP53 (0.51) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL6835939 0.86 ALDH1A1 (0.56) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL6835941 0.86 ALDH1A1 (0.56) TP53SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6836664 0.85 TP53 (0.47) TP53SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6836661 0.85 TP53 (0.47) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL6836870 0.83 ALDH1A1 (0.64) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL6836866 0.83 ALDH1A1 (0.64) TP53SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6837121 0.83 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6837124 0.83 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL8549406 0.83 TP53 (0.55) TP53SMN1; SMN2MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP 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 (2 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 TP53 4827/4885SMN1; SMN2 3664/4885MAPT 4772/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 TP53 4824/4885SMN1; SMN2 3467/4885MAPT 4736/4885

“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.