SCHEMBL6070770

SCHEMBL6070770

Cc1nn(-c2ncccc2[N+](=O)[O-])c(C)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALKBH1 Q13686 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
SCHEMBL6070326 0.85 PKM (0.62) PKMSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL26659276 0.73 ALKBH1 (0.59) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL7472993 0.73 PKM (0.56) PKMSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL15710244 0.72 PKM (0.54) PKMSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27780413 0.72 ALDH1A1 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL2197462 0.71 PDE4B (0.73) SMN1; SMN2L3MBTL1ALDH1A1MEN1NPC1
Acetic Acid SCHEMBL28685853 0.70 PAX8 (0.51) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2938583 0.69 MEN1 (0.69) SMN1; SMN2CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL1304494 0.69 PKM (0.51) PKMSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13607159 0.68 LMNA (0.47) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1221544-C Pyrazole cyclic AMP-specific PDE inhibitors ICOS CORP (US) 2005-10-05 — — CN claimed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 — — US claimed
CN-1434817-A Pyrazole cyclic AMP-specific phosphodiesterase inhibitors ICOS CORP (US) 2003-08-06 — — CN claimed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 — — US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 — — US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 — — 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PKM 1060/4885SMN1; SMN2 1631/4885CYP1A2 1316/4885

“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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