SCHEMBL3344402

SCHEMBL3344402

O=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 6/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 4/20 0.58
GAA P10253 4/20 0.58
TDP1 Q9NUW8 3/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.53
ABL1 P00519 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL3337873 0.86 MAPT (0.79) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3339779 0.85 LMNA (0.79) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3342093 0.84 MAPT (0.72) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3335920 0.82 MAPT (0.71) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3337680 0.81 CA12 (0.62) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3337838 0.80 LMNA (0.56) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3337733 0.79 RAB9A (0.77) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL31006484 0.78 ALDH1A1 (0.75) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28871814 0.78 ALDH1A1 (0.75) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3338316 0.78 MAPT (0.74) MAPTMEN1KMT2ARAB9ALMNA

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-8410152-B2 Thiazolhydrazides for treatment of neurodegenerative diseases MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E. V. (DE) 2013-04-02 US claimed
US-20100151064-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES TECHNISCHE UNIVERSITAT DARMSTADT (DE) 2010-06-17 US 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 MAPT 2/4885MEN1 1886/4885KMT2A 3492/4885

“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.