SCHEMBL370045

SCHEMBL370045

CCCCCc1cc(=O)nc2sc(CC)nn12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ITGA2B P08514 2/20 0.43
ITGB3 P05106 1/20 0.43
MAPT P10636 9/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
PKM P14618 2/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4487742 0.82 ITGA2B (0.45) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL370044 0.78 KDM4E (0.63) KDM4EITGA2BITGB3MAPTGRIA2
SCHEMBL368216 0.76 ITGA2B (0.47) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL4474046 0.73 ITGA2B (0.45) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL11481979 0.69 ALDH1A1 (0.56) KDM4EMAPTGRIA2GRIN1GRIN2A
SCHEMBL19557525 0.68 MAPT (0.68) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL19086817 0.67 ITGB3 (0.56) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL15260567 0.66 BCHE (0.41) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL4474040 0.65 ITGB3 (0.54) KDM4EITGA2BITGB3MAPTPKM
SCHEMBL368965 0.64 ITGA2B (0.47) KDM4EITGA2BITGB3MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20130251761-A1 ORGANIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 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

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 3520/4885ITGA2B 255/4885ITGB3 75/4885
US-20130251761-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 KDM4E 3520/4885ITGA2B 255/4885ITGB3 75/4885

“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.