SCHEMBL5408701

SCHEMBL5408701

O=C(c1ccc([N+](=O)[O-])cc1)n1cc[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL6325746 0.70 CES1 (0.57) CES1CA1CA2TDP1BCHE
SCHEMBL29114323 0.70 NOS1 (0.63) CES1CA1CA2TDP1BCHE
SCHEMBL11629520 0.70 CES1 (0.44) CES1CA1CA2TDP1BCHE
SCHEMBL16756835 0.70 TSHR (0.45) CES1CA1CA2TDP1BCHE
SCHEMBL6326811 0.69 MAPK1 (0.56) CES1CA1CA2TDP1BCHE
SCHEMBL28954485 0.69 BCHE (0.48) CES1CA1CA2TDP1BCHE
SCHEMBL9152022 0.68 CA12 (0.77) CES1CA1CA2ALDH1A1CA12
SCHEMBL8421386 0.68 CES1 (0.53) CES1CA1CA2TDP1BCHE
SCHEMBL10832502 0.67 CA1 (0.49) CES1CA1CA2TDP1TSHR
SCHEMBL975118 0.66 SRD5A2 (0.83) CES1CA1CA2TDP1TSHR

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-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 — — 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-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, ADAM33, ADAM8 CES1 89/4885CA1 78/4885CA2 240/4885

“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.

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