SCHEMBL6835912

SCHEMBL6835912

O=C(Cl)/C=C/c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.55
PTGER1 P34995 2/20 0.54
PTGER3 P43115 2/20 0.54
PTGER2 P43116 2/20 0.54
PTGER4 P35408 1/20 0.48
NFKB1 P19838 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
SLC6A11 P48066 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
JUN P05412 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL6835913 1.00 BACE1 (0.55) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL30317554 0.85 BACE1 (0.58) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL181054 0.85 PTGER3 (0.66) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL2433472 0.85 PTGER3 (0.66) BACE1PTGER1PTGER3PTGER2PTGER4
Hydrochloric Acid SCHEMBL11527565 0.83 PTGER3 (0.64) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL9433685 0.82 PTGER1 (0.41) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL9433677 0.82 PTGER1 (0.41) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL6907589 0.82 NFKB1 (0.50) NFKB1CA1CA2CA4HDAC8
SCHEMBL27642891 0.81 BACE1 (0.55) BACE1PTGER1PTGER3PTGER2PTGER4
SCHEMBL3667411 0.81 BACE1 (0.55) BACE1PTGER1PTGER3PTGER2PTGER4

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 7 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
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 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 (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 BACE1 4333/4885PTGER1 12/4885PTGER3 63/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 BACE1 4361/4885PTGER1 11/4885PTGER3 66/4885

“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.