SCHEMBL778314

SCHEMBL778314

S=c1[nH]c2ncccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 1.00
HTT P42858 1/20 1.00
PSMB8 P28062 8/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AXL P30530 1/20 0.35
NUDT1 P36639 1/20 0.35
AURKA O14965 1/20 0.35
PARP1 P09874 1/20 0.35
KEAP1 Q14145 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL29422383 1.00 HSD17B10 (1.00) HSD17B10HTTPSMB8KDM4EGAA
SCHEMBL29578046 0.76 HTT (0.61) HSD17B10HTTKDM4EALDH1A1AURKA
SCHEMBL340652 0.76 HTT (0.61) HSD17B10HTTKDM4EALDH1A1AURKA
Hydrochloric Acid SCHEMBL30693613 0.74 HTT (0.59) HSD17B10HTTKDM4EALDH1A1AURKA
SCHEMBL9588973 0.74 HTT (0.59) HSD17B10HTTKDM4EALDH1A1AURKA
SCHEMBL9588982 0.74 HTT (0.59) HSD17B10HTTKDM4EALDH1A1AURKA
SCHEMBL859282 0.69 HSD17B10 (0.53) HSD17B10HTTPSMB8KDM4EGAA
SCHEMBL24330409 0.67 HTT (0.50) HSD17B10HTTPSMB8KDM4EGAA
SCHEMBL778983 0.67 HTT (0.50) HSD17B10HTTPSMB8KDM4EGAA
SCHEMBL777616 0.67 PSMB8 (0.50) HSD17B10HTTPSMB8KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737445-A1 NOVEL SATURATED HETEROCYCLE-SUBSTITUTED HETEROARYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2026-05-06 EP disclosed
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2006051410-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 WO disclosed
US-4052406-A PROCESS FOR THE PRODUCTION OF 3-HYDROXY-2-IMINO-(2H)-PYRIDINESULPHONIC ACID MONOHYDRATE CIBA-GEIGY CORPORATION (US) 1977-10-04 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 (5 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 HSD17B10 3329/4885HTT 2856/4885PSMB8 1752/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 HSD17B10 3329/4885HTT 2856/4885PSMB8 1752/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 HSD17B10 3888/4885HTT 2916/4885PSMB8 1614/4885
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 HSD17B10 1839/4885HTT 572/4885PSMB8 2844/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 HSD17B10 3329/4885HTT 2856/4885PSMB8 1752/4885

“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.