SCHEMBL11599478

SCHEMBL11599478

O=C(O)c1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(C(=O)O)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
KMT2A Q03164 2/20 0.70
MMP2 P08253 1/20 0.65
MMP9 P14780 1/20 0.65
MMP8 P22894 1/20 0.65
MMP13 P45452 1/20 0.65
NR4A2 P43354 1/20 0.61
CHEK2 O96017 9/20 0.59
MPL P40238 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GRIK1 P39086 1/20 0.51
GRIK2 Q13002 1/20 0.51
GRIK3 Q13003 1/20 0.51
PARP1 P09874 1/20 0.51
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL10826401 0.94 KDM4E (0.72) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL7602620 0.94 KDM4E (0.70) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL28930292 0.92 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL1665158 0.89 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL7943525 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL3200579 0.88 CHEK2 (0.69) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL1663947 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL20982511 0.87 MMP2 (0.78) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL20982594 0.86 NR4A2 (0.77) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL12471017 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AMMP2

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-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-4067804-A POLYOXADIAZOLE RESIN THE FURUKAWA ELECTRIC COMPANY, LIMITED (JA) 1978-01-10 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 KDM4E 1792/4885ALDH1A1 3412/4885HPGD 4664/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 KDM4E 1792/4885ALDH1A1 3412/4885HPGD 4664/4885

“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.