SCHEMBL13304529

SCHEMBL13304529

CCOC(=O)c1cnc(N2CCC(CN3C(=O)N(c4ccc(C#N)cc4)C(=O)C3c3ccccc3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
NPEPPS P55786 2/20 0.37
ALDH1A1 P00352 4/20 0.37
GPR119 Q8TDV5 1/20 0.37
P2RY12 Q9H244 2/20 0.36
PRKAA2 P54646 1/20 0.36
P2RX3 P56373 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13304530 0.90 ITGAL (0.41) GPR119PRKAA2
SCHEMBL13304550 0.88 GPR119 (0.41) ELANEALDH1A1GPR119MAPK1NPSR1
SCHEMBL13304563 0.87 HDAC6 (0.48) PRKAA2
SCHEMBL13304531 0.81 CHRM4 (0.36) PRKAA2MEN1
SCHEMBL13327802 0.79 HDAC6 (0.48)
SCHEMBL13304556 0.79 ITGAL (0.42) GPR119PRKAA2
SCHEMBL13304603 0.77 HDAC6 (0.53)
SCHEMBL13304599 0.77 HDAC6 (0.49)
SCHEMBL13304568 0.75 HDAC6 (0.47)
SCHEMBL8246494 0.74 OPRL1 (0.38) ELANEALDH1A1MEN1KMT2ACYP2C9

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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 ELANE 1756/4885NPEPPS 4149/4885ALDH1A1 572/4885

“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.