SCHEMBL3111166

SCHEMBL3111166

O=c1nc(-c2ccccc2O)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
HPGD P15428 5/20 0.59
GUSB P08236 2/20 0.59
PDE5A O76074 2/20 0.55
GAA P10253 3/20 0.54
MGAM O43451 2/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
GLA P06280 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 2/20 0.53
POLB P06746 1/20 0.53
IDO1 P14902 1/20 0.53
RECQL P46063 1/20 0.53
TDO2 P48775 1/20 0.53

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
SCHEMBL31722934 1.00 KDM4E (0.59) KDM4EHPGDGUSBPDE5AGAA
SCHEMBL11245430 0.84 NPC1 (0.50) KDM4EHPGDGUSBGAAALDH1A1
SCHEMBL5508220 0.83 KDM4E (0.55) KDM4EHPGDGUSBPDE5AGAA
SCHEMBL2372869 0.83 PTGES (0.51) KDM4EHPGDGUSBPDE5AGAA
SCHEMBL6887071 0.82 ALDH1A1 (0.52) KDM4EHPGDGAAALDH1A1NPC1
SCHEMBL8618622 0.81 NPC1 (0.61) KDM4EHPGDGAAMGAMSI
SCHEMBL11332812 0.81 NPC1 (0.61) KDM4EHPGDGAAALDH1A1NPC1
SCHEMBL8623118 0.81 PTGES (0.63) KDM4EGUSBGAAMGAMSI
SCHEMBL8618963 0.78 ALDH1A1 (0.56) KDM4EHPGDGUSBGAAALDH1A1
SCHEMBL15775502 0.77 PARP1 (0.59) GUSBGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313156-B1 DISULFIDE-BASED PRODRUG COMPOUNDS UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2025-08-06 EP claimed
US-20240156965-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-05-16 US claimed
EP-4320124-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2024-02-14 EP claimed
EP-4071148-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2022-10-12 EP claimed
EP-4062942-A1 DISULFIDE-BASED PRODRUG COMPOUNDS Ludwig-Maximilians-Universität München (DE) 2022-09-28 EP claimed
US-12465559-B2 Fluorescent curable dental composition and cured product thereof KURARAY NORITAKE DENTAL INC. (JP) 2025-11-11 US disclosed
EP-4313156-B1 DISULFIDE-BASED PRODRUG COMPOUNDS UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2025-08-06 EP disclosed
US-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-06-27 US disclosed
US-20240156965-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-05-16 US disclosed
EP-4320124-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2024-02-14 EP disclosed
EP-4313156-A1 DISULFIDE-BASED PRODRUG COMPOUNDS Ludwig-Maximilians-Universität München (DE) 2024-02-07 EP disclosed
US-20230075693-A1 FLUORESCENT CURABLE DENTAL COMPOSITION AND CURED PRODUCT THEREOF KURARAY NORITAKE DENTAL INC. (JP) 2023-03-09 US disclosed
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-01-25 US disclosed
WO-2006085978-A2 CONJUGATES OF A CEPHALOSPORIN DERIVATIVE AND A FLUOROPHOR PRECURSOR AND RELATED COMPOUNDS AS SUBSTRATES FOR BETA-LACTAMASE GENE EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-17 WO disclosed
US-20050181469-A1 Beta-lactamase substrates having phenolic ethers HOWARD HUGHES MEDICAL CENTER (US) 2005-08-18 US disclosed
US-20050118669-A1 Novel fluorogenic substrates for beta-lactamase gene expression NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
EP-1385853-A4 BETA-LACTAMASE SUBSTRATES HAVING PHENOLIC ETHERS UNIV CALIFORNIA (US) 2005-02-16 EP disclosed
EP-1385853-A2 Beta-lactamase substrates having phenolic ethers The Regents of the University of California (US) 2004-02-04 EP disclosed
US-20030003526-A1 Beta-lactamase substrates having phenolic ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-02 US disclosed
WO-2002068678-A2 BETA-LACTAMASE SUBSTRATES HAVING PHENOLIC ETHERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-09-06 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 (8 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-12465559-B2 Fluorescent curable dental composition and cured product thereof BRD1, TBCA, BAZ1A KDM4E 1086/4885HPGD 1308/4885GUSB 1835/4885
US-20050181469-A1 Beta-lactamase substrates having phenolic ethers DBH, CMBL, NCEH1 KDM4E 352/4885HPGD 2588/4885GUSB 35/4885
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression CMBL, HRH3, TDO2 KDM4E 1516/4885HPGD 2638/4885GUSB 122/4885
US-20050118669-A1 Novel fluorogenic substrates for beta-lactamase gene expression CMBL, GLB1, SMYD2 KDM4E 455/4885HPGD 2076/4885GUSB 32/4885
US-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND CBS, MSR1, P4HB KDM4E 4718/4885HPGD 281/4885GUSB 162/4885
US-20240156965-A1 DICHALCOGENIDE PRODRUGS DHCR7, DECR1, CYP27A1 KDM4E 4690/4885HPGD 483/4885GUSB 58/4885
US-20030003526-A1 Beta-lactamase substrates having phenolic ethers CMBL, GLB1, MGAM2 KDM4E 855/4885HPGD 2583/4885GUSB 37/4885
US-20230075693-A1 FLUORESCENT CURABLE DENTAL COMPOSITION AND CURED PRODUCT THEREOF BRD1, TBCA, BAZ1A KDM4E 1086/4885HPGD 1308/4885GUSB 1835/4885

“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.