SCHEMBL5222037

SCHEMBL5222037

COC(=O)c1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.75
MMP9 P14780 2/20 0.75
MMP8 P22894 2/20 0.75
MMP13 P45452 2/20 0.75
CHEK2 O96017 10/20 0.72
NR4A2 P43354 1/20 0.70
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
PKM P14618 1/20 0.70
HPGD P15428 1/20 0.70
NFKB1 P19838 1/20 0.70
RAB9A P51151 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
RHEB Q15382 1/20 0.69
ATM Q13315 1/20 0.61
HDAC3 O15379 2/20 0.58

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
SCHEMBL20982471 0.92 MMP2 (0.78) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL14381943 0.90 KDM4E (0.70) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL20982644 0.89 NR4A2 (0.86) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL2617479 0.88 KDM4E (0.71) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL5219768 0.87 NR4A2 (0.83) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL19763371 0.87 CHEK2 (0.72) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL1662761 0.87 CHEK2 (0.93) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL30406138 0.86 MMP2 (0.73) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL19747752 0.86 MMP2 (0.70) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL2563888 0.86 MMP2 (0.73) MMP2MMP9MMP8MMP13CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282518-B2 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-10-16 US disclosed
US-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION SIRCAR JAGADISH C 2007-08-30 US disclosed
EP-1368028-B1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-08-15 EP disclosed
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents SIRCAR JAGADISH C (US) 2004-10-28 US disclosed
US-6759425-B2 USEFUL IN THE TREATMENT OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IGE IS PATHOGENIC; ALSO ARE USEFUL AS ANTICANCER AGENTS. AVANIR PHARMACEUTICALS 2004-07-06 US disclosed
CN-1496257-A Benzimidazole compounds for modulating immunoglobulin E and inhibiting cell proliferation ������˹ҩƷ��˾ 2004-05-12 CN disclosed
EP-1368028-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-12-10 EP disclosed
WO-2002072090-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2002-09-19 WO disclosed
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2002-09-19 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 (3 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-20070202133-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION MKI67, CMA1, CCNI MMP2 760/4885MMP9 1867/4885MMP8 423/4885
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents FCER2, CMA1, FCGR1A MMP2 532/4885MMP9 1719/4885MMP8 363/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI MMP2 760/4885MMP9 1867/4885MMP8 423/4885

“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.