SCHEMBL3341333

SCHEMBL3341333

Cc1sc(N(N)C(=O)c2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ATR Q13535 1/20 0.40
RPS6KA3 P51812 2/20 0.40
CHEK2 O96017 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
AMY1A P0DUB6 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL4845147 0.82 MAPK1 (0.48) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3344292 0.77 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1CNR1
SCHEMBL4732214 0.75 MEN1 (0.50) KMT2AMAPTMEN1ALDH1A1MAPK1
Bromide SCHEMBL7143173 0.71 MYC (0.61) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL10377412 0.68 ALDH1A1 (0.46) KMT2AMAPTMEN1ALDH1A1CNR1
SCHEMBL3605366 0.68 MEN1 (0.48) KMT2AMAPTMEN1ALDH1A1HTT
Bromide SCHEMBL11255859 0.67 MEN1 (0.48) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3795985 0.66 MAPT (0.52) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL10375532 0.66 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1CNR1
Ethane SCHEMBL28200228 0.65 CNR1 (0.59) KMT2AMAPTALDH1A1CNR1LMNA

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 1 patent. 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

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 KMT2A 3492/4885MAPT 2/4885MEN1 1886/4885

“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.