SCHEMBL368725

SCHEMBL368725

Nc1nnc(-c2cccc(Br)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
MGAM O43451 4/20 0.56
GAA P10253 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
PKM P14618 1/20 0.56
NOTUM Q6P988 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.51
HK1 P19367 1/20 0.51
RAB9A P51151 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2833531 0.81 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL3829254 0.79 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL11337791 0.79 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL11324204 0.79 HSD17B1 (0.76) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL603197 0.79 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL2221168 0.79 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL3830634 0.79 RAB9A (0.46) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL8045495 0.79 HDAC1 (0.46) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL474273 0.77 KDM4E (0.66) KDM4EALDH1A1MGAMGAASI
SCHEMBL45441 0.77 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920181-A N- (5-phenyl-1, 3, 4-thiadiazole-2-yl) benzamide compound 中国医科大学 2021-06-08 CN disclosed
US-9532989-B2 Oxadiazolo[3,2-A]pyrimidines and thiadiazolo[3,2-A]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-03 US disclosed
US-9532989-B2 Oxadiazolo[3,2-A]pyrimidines and thiadiazolo[3,2-A]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-03 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US disclosed
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
US-9066948-B2 Oxadiazolo[3,2-a]pyrimidines and thiadiazolo[3,2-a]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-30 US disclosed
US-9066948-B2 Oxadiazolo[3,2-a]pyrimidines and thiadiazolo[3,2-a]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-30 US disclosed
US-9066948-B2 Oxadiazolo[3,2-a]pyrimidines and thiadiazolo[3,2-a]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-30 US disclosed
US-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
EP-2593106-A1 ORGANIC COMPOUNDS Rockefeller University (US) 2013-05-22 EP disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 WO disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 WO disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2121687-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2009-11-25 EP disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP 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-20150374697-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 KDM4E 3520/4885ALDH1A1 452/4885MEN1 2533/4885
US-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB KDM4E 1582/4885ALDH1A1 379/4885MEN1 1410/4885

“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.