SCHEMBL6836632

SCHEMBL6836632

C(=C/c1nc2ccccc2n1-c1nccs1)\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.52
KDM4E B2RXH2 12/20 0.52
RAB9A P51151 12/20 0.52
NPC1 O15118 10/20 0.52
L3MBTL1 Q9Y468 7/20 0.52
MAPT P10636 7/20 0.52
PKM P14618 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 11/20 0.49
HPGD P15428 8/20 0.49
GLA P06280 7/20 0.49
GAA P10253 7/20 0.49
TP53 P04637 5/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
TDP1 Q9NUW8 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL6836635 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL7480493 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL7480500 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL8550750 0.77 KDM4E (0.64) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6583386 0.77 KDM4E (0.64) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6583378 0.77 KDM4E (0.64) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6835941 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6835939 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6836874 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ANPC1L3MBTL1
SCHEMBL6836872 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ANPC1L3MBTL1

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-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

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 ALDH1A1 209/4885KDM4E 1257/4885RAB9A 4694/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 ALDH1A1 203/4885KDM4E 1153/4885RAB9A 4729/4885

“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.