SCHEMBL3337680

SCHEMBL3337680

O=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA9 Q16790 1/20 0.62
MAPT P10636 11/20 0.58
GAA P10253 7/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
LMNA P02545 5/20 0.58
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
HTT P42858 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL3342093 0.88 MAPT (0.72) CA12CA9MAPTGAAKDM4E
SCHEMBL3336646 0.87 KDM4E (0.76) CA12CA9MAPTGAAKDM4E
SCHEMBL3344076 0.85 MAPT (0.66) CA12CA9MAPTGAAKDM4E
SCHEMBL3335920 0.84 MAPT (0.71) CA12CA9MAPTGAAKDM4E
SCHEMBL3341533 0.82 CA12 (0.54) CA12CA9MAPTGAAKDM4E
SCHEMBL30360026 0.81 KDM4E (0.53) CA12CA9MAPTGAAKDM4E
SCHEMBL3344402 0.81 MAPT (0.66) MAPTGAAKDM4EALDH1A1LMNA
Bromide SCHEMBL30909190 0.81 KDM4E (0.52) CA12CA9MAPTGAAKDM4E
SCHEMBL3341971 0.81 CA12 (0.50) CA12CA9MAPTGAAKDM4E
SCHEMBL3338686 0.80 MAPT (0.56) MAPTGAAKDM4EALDH1A1LMNA

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 5 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
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 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 (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 CA12 3769/4885CA9 3189/4885MAPT 2/4885

“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.