SCHEMBL3602500

SCHEMBL3602500

O=C1Nc2cc([N+](=O)[O-])ccc2CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43
CYP3A4 P08684 4/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PNMT P11086 4/20 0.42
ADRA2A P08913 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DAO P14920 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL3833553 0.88 SIRT2 (0.48) TDP2CA12CA1CA2CA9
SCHEMBL2061915 0.76 SIRT2 (0.56) TDP2CAPN9CASP3CYP3A4TDP1
SCHEMBL2993057 0.76 TDP2 (0.67) TDP2CAPN9CASP3CYP3A4TDP1
SCHEMBL495833 0.74 CA9 (0.56) TDP2CA9CAPN9CASP3CYP3A4
SCHEMBL30270534 0.74 CA9 (0.56) TDP2CA9CAPN9CASP3CYP3A4
SCHEMBL293956 0.73 CYP11B1 (0.41) TDP2CA12CA1CA2CA9
SCHEMBL3586629 0.73 CA9 (0.54) TDP2CA12CA1CA2CA9
SCHEMBL15788033 0.73 CYP11B1 (0.41) TDP2CA9PNMTADRA2AADRA2B
SCHEMBL436631 0.73 MMP12 (0.51) CYP3A4MAPTGAAAKR1B1ALDH1A1
SCHEMBL3586627 0.73 CYP11B1 (0.41) CA9

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-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-30 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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 (3 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TDP2 4713/4885CA12 1992/4885CA1 1446/4885
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 TDP2 928/4885CA12 4870/4885CA1 4751/4885
US-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBG1, HBG2, HBB TDP2 2792/4885CA12 2468/4885CA1 4411/4885

“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.