SCHEMBL17324745

SCHEMBL17324745

CCCCOCC(O)Cn1nc(C(C)=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CNR1 P21554 5/20 0.42
▸ CNR2 P34972 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ELANE P08246 3/20 0.40
▸ HTR3A P46098 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CFD P00746 1/20 0.37

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
SCHEMBL15897906 0.91 KDM4E (0.54) KDM4ESMN1; SMN2CNR1CNR2MAPT
SCHEMBL20250794 0.83 CYP2D6 (0.49) KDM4EMAPTUSP2MAPK1
SCHEMBL17324752 0.82 CNR1 (0.51) KDM4ECNR1CNR2ELANEHTR3A
SCHEMBL17324668 0.82 CNR1 (0.48) KDM4ECNR1CNR2ELANEHTR3A
SCHEMBL17324793 0.80 HTR3A (0.43) KDM4ESMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL17324748 0.77 HTR3A (0.45) KDM4ESMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL24247716 0.75 ALDH1A1 (0.48) KDM4ESMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL17176491 0.74 HTR3A (0.59) KDM4ESMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL15882161 0.74 CYP2D6 (0.51) MAPK1
SCHEMBL15897842 0.73 PKM (0.55) CNR1CNR2MAPTUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KDM4E 1029/4885SMN1; SMN2 1117/4885CNR1 3961/4885

“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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