SCHEMBL1664216

SCHEMBL1664216

O=C(O)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.97
ALDH1A1 P00352 4/20 0.97
HPGD P15428 4/20 0.97
KMT2A Q03164 1/20 0.97
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 1/20 0.69
PKM P14618 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
GAA P10253 1/20 0.69
HPSE Q9Y251 2/20 0.68
MMP2 P08253 3/20 0.66
MMP9 P14780 3/20 0.66
MMP8 P22894 3/20 0.66
MMP13 P45452 3/20 0.66
CHEK2 O96017 3/20 0.63
TP53 P04637 1/20 0.61

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
SCHEMBL11331533 0.86 KDM4E (0.73) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL3663760 0.86 KDM4E (0.73) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL10826401 0.85 KDM4E (0.72) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL6530461 0.85 KDM4E (0.70) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL7035502 0.84 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2ARAB9A
Terephthalamide SCHEMBL2641517 0.84 CHEK2 (0.76) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL2178266 0.84 NPC1 (0.88) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL29386825 0.84 NPC1 (0.88) KDM4EALDH1A1HPGDKMT2ARAB9A
SCHEMBL5219768 0.84 NR4A2 (0.83) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL11599478 0.84 KDM4E (0.70) KDM4EALDH1A1HPGDKMT2ARAB9A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666757-A Benzimidazole antitumor compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN claimed
CN-106328948-B Based on [ Zn (BIBBA)2]nPreparation method of lithium battery negative electrode material 华南师范大学 2020-03-13 CN claimed
CN-106328948-A Preparation method of novel lithium battery negative pole material based on [Zn(BIBBA)2]n 华南师范大学 2017-01-11 CN claimed
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
US-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 US disclosed
CN-118666757-A Benzimidazole antitumor compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
CN-106328948-B Based on [ Zn (BIBBA)2]nPreparation method of lithium battery negative electrode material 华南师范大学 2020-03-13 CN disclosed
EP-3052483-B1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY GLAXOSMITHKLINE IP DEV LTD (GB) 2019-02-06 EP disclosed
WO-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO 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
US-5486517-A Benzimidazoles and imidazopyridines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1995030659-A1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINERGIC AGENTS, ESP. SELECTIVE FOR THE DOPAMINE D3 RECEPTOR WARNER-LAMBERT COMPANY (US) 1995-11-16 WO 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-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B KDM4E 4354/4885ALDH1A1 2497/4885HPGD 1152/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B KDM4E 4354/4885ALDH1A1 2497/4885HPGD 1152/4885
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 KDM4E 2008/4885ALDH1A1 3805/4885HPGD 2515/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B KDM4E 4354/4885ALDH1A1 2497/4885HPGD 1152/4885

“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.