SCHEMBL3673340

SCHEMBL3673340

NC(=O)c1ccsc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPK8 P45983 3/20 0.49
PAX8 Q06710 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTK2 Q05397 1/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 4/20 0.40
MAPK10 P53779 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4307844 0.84 MAPT (0.42) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL27868477 0.82 MAPT (0.44) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL22128104 0.78 POLB (0.39) MAPTALDH1A1KMT2AMEN1MAPK8
SCHEMBL5800451 0.78 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1MAPK10
SCHEMBL9125891 0.72
SCHEMBL8159398 0.72
SCHEMBL3070066 0.71 ESR2 (0.45) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL22128122 0.70 MAPT (0.36) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL22142344 0.70 MAPT (0.36) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5067843 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPT 517/4885ALDH1A1 2036/4885KMT2A 693/4885

“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.