SCHEMBL5219768

SCHEMBL5219768

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

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.83
CHEK2 O96017 13/20 0.81
MMP2 P08253 1/20 0.78
MMP9 P14780 1/20 0.78
MMP8 P22894 1/20 0.78
MMP13 P45452 1/20 0.78
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
KMT2A Q03164 1/20 0.70
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MPL P40238 1/20 0.63

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
SCHEMBL20982644 0.98 NR4A2 (0.86) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL20982511 0.94 MMP2 (0.78) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL20982594 0.92 NR4A2 (0.77) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL27652687 0.92 NR4A2 (0.77) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL3178116 0.92 CHEK2 (0.78) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL3178995 0.91 CHEK2 (0.97) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL2339157 0.91 MMP2 (0.84) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL29576909 0.91 NR4A2 (0.75) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL30938560 0.91 NR4A2 (1.00) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL28384472 0.91 NR4A2 (0.75) NR4A2CHEK2MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
EP-3611224-A1 COMPOSITION, COMPOSITE FILM AND MEMBRANE ELECTRODE ASSEMBLY ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-19 EP disclosed
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
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 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 (4 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 NR4A2 1970/4885CHEK2 2484/4885MMP2 760/4885
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 NR4A2 3541/4885CHEK2 152/4885MMP2 1131/4885
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 NR4A2 2543/4885CHEK2 3296/4885MMP2 532/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI NR4A2 1970/4885CHEK2 2484/4885MMP2 760/4885

“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.