SCHEMBL3336646

SCHEMBL3336646

O=C(NNc1nc(-c2ccccc2)cs1)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.76
MAPT P10636 8/20 0.76
GAA P10253 7/20 0.76
ALDH1A1 P00352 4/20 0.76
LMNA P02545 4/20 0.76
HTT P42858 4/20 0.72
TDP1 Q9NUW8 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPK1 P28482 2/20 0.65
SCD O00767 1/20 0.58
CSNK2A1 P68400 2/20 0.56
ADORA3 P0DMS8 1/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL3344076 0.91 MAPT (0.66) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3341776 0.87 MAPT (0.89) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3337680 0.87 CA12 (0.62) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3338686 0.85 MAPT (0.56) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3344724 0.84 KDM4E (1.00) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3338748 0.84 MAPT (0.82) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3338134 0.82 KDM4E (0.85) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3338101 0.82 MAPT (0.67) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3341387 0.82 MAPT (0.60) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL3341958 0.81 MAPT (0.79) KDM4EMAPTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES TECHNISCHE UNIVERSITAT DARMSTADT (DE) 2010-06-17 US claimed
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO claimed
US-8410152-B2 Thiazolhydrazides for treatment of neurodegenerative diseases MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E. V. (DE) 2013-04-02 US disclosed
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES TECHNISCHE UNIVERSITAT DARMSTADT (DE) 2010-06-17 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 (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-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA KDM4E 4489/4885MAPT 2/4885GAA 76/4885

“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.