SCHEMBL2432424

SCHEMBL2432424

CC1(C(N)=O)CCCCC1(C)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
BRD4 O60885 1/20 0.41
DDO Q99489 1/20 0.41
SMYD3 Q9H7B4 3/20 0.40
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.37
CHEK1 O14757 1/20 0.37
KDR P35968 1/20 0.37
ALOX5 P09917 1/20 0.36
TSHR P16473 3/20 0.36
FLT3 P36888 1/20 0.36
HSD17B10 Q99714 2/20 0.36
APAF1 O14727 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2435589 0.75 KDM4E (0.43) DAOBRD4DDOSMYD3KDM4E
SCHEMBL2437366 0.72 ALDH1A1 (0.50) KDM4EALDH1A1MAPK1HPGDTSHR
SCHEMBL2432421 0.71 KDM4E (0.43) DAOBRD4DDOSMYD3KDM4E
SCHEMBL2437373 0.71 KDM4E (0.43) DAOBRD4DDOSMYD3KDM4E
SCHEMBL11307986 0.70 AKR1C1 (0.46) MEN1LMNAKMT2A
SCHEMBL2969152 0.67 DAO (0.49) DAOBRD4DDOSMYD3KDM4E
SCHEMBL31184774 0.67 FLT3 (0.42) DAODDOKDM4EALDH1A1GAA
SCHEMBL5473906 0.66 HRH4 (0.39) DAOBRD4DDOSMYD3KDM4E
SCHEMBL2432418 0.66 KDM4E (0.45) DAOBRD4DDOKDM4EALDH1A1
SCHEMBL2972341 0.65 DAO (0.43) DAOBRD4DDOSMYD3KDM4E

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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists MERCK SHARP & DOHME LLC 2011-09-01 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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists NPSR1, NPY1R, NPY2R DAO 1166/4885BRD4 1569/4885DDO 1544/4885

“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.