SCHEMBL3528938

SCHEMBL3528938

O=C1Cc2ncnc(Cl)c2C12Cc1ccc([N+](=O)[O-])cc1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TLR9 Q9NR96 1/20 0.36
WDR5 P61964 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
TYMS P04818 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL261045 0.81 TDP2 (0.39) TDP2KMT2AMEN1GAALMNA
SCHEMBL22271650 0.65 TDP2 (0.49) TDP2KMT2AMEN1LMNAMAPT
SCHEMBL5917126 0.63 CA1 (0.47) TDP2KMT2AMEN1LMNAMAPT
SCHEMBL11704978 0.62 TDP2 (0.47) TDP2KMT2AMEN1LMNAMAPT
SCHEMBL2397413 0.61 TDP2 (0.38) TDP2KMT2AMEN1GAALMNA
SCHEMBL1438134 0.61 EGFR (0.56) KMT2AMEN1LMNAMAPTHSD17B10
SCHEMBL28240873 0.61 TDP2 (0.53) TDP2KMT2AMEN1LMNAMAPT
SCHEMBL29873053 0.61 EGFR (0.56) KMT2AMEN1LMNAMAPTHSD17B10
SCHEMBL3705905 0.61 TDP2 (0.49) TDP2KMT2AMEN1LMNAMAPT
SCHEMBL155127 0.61 EGFR (0.56) KMT2AMEN1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659300-B2 Monocyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 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-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists BDKRB1, BDKRB2, CALCRL TDP2 4373/4885KMT2A 2554/4885MEN1 285/4885

“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.