SCHEMBL6851183

SCHEMBL6851183

N#CCCn1cc(C=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ HTT P42858 4/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ POLB P06746 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ IMPDH2 P12268 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL29277385 0.84 POLB (0.60) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL14519061 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL27552085 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL14448832 0.80 POLB (0.62) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL29071621 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL8263758 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL31516344 0.80 POLB (0.62) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL8685674 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL31282629 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL16116060 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTNPC1MAPT

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
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 — — US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 — — US disclosed
CN-1387528-A Heterocyclic substd, pyrazolones CEPHALON INC (US) 2002-12-25 — — CN disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 — — US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 — — EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 — — 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 (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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK ALDH1A1 212/4885SMN1; SMN2 2889/4885HTT 688/4885

“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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