SCHEMBL828113

SCHEMBL828113

O=C(O)c1ccc2[nH]c(-c3nc4cc(C(=O)O)ccc4[nH]3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.55
NR4A2 P43354 1/20 0.55
CHEK2 O96017 8/20 0.54
TDP1 Q9NUW8 2/20 0.51
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
APEX1 P27695 1/20 0.45

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
SCHEMBL4366407 0.93 NR4A2 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL28930292 0.91 KDM4E (0.68) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7602620 0.90 KDM4E (0.70) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL28722301 0.89 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8611783 0.89 KDM4E (0.69) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31533522 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12471017 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20982594 0.86 NR4A2 (0.77) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6220033 0.86 PKN1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31412081 0.86 KDM4E (0.79) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291703-B1 COLOR LIQUID CRYSTAL DISPLAY AND COMPENSATION PANEL CRYSOPTIX KK (JP) 2016-11-30 EP disclosed
EP-2135889-B1 FLUORINATED POLYETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND CURABLE COMPOSITION CONTAINING THE SAME UNIMATEC CO LTD (JP) 2012-12-19 EP disclosed
US-8142863-B2 Color liquid crystal display and compensation panel Crysoptix, KK (JP) 2012-03-27 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 US disclosed
EP-2135889-A1 FLUORINATED POLYETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND CURABLE COMPOSITION CONTAINING THE SAME Unimatec Co., Ltd. (JP) 2009-12-23 EP disclosed
US-20090268136-A1 Color Liquid Crystal Display and Compensation Panel CRYSOPTIX KK (JP) 2009-10-29 US disclosed
EP-2081913-A2 BENZIMIDAZOLE,BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES, OPTICAL FILM COMPRISING THEM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2009-07-29 EP disclosed
WO-2008020211-A2 BENZIMIDAZOLE, BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES, OPTICAL FILM COMPRISING THEM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2008-02-21 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 (1 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP KDM4E 1712/4885ALDH1A1 1696/4885HPGD 1463/4885

“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.