SCHEMBL4881598

SCHEMBL4881598

COc1ccc(CCNC(=O)c2ccccc2C2CCN(CCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
BCL3 P20749 1/20 0.38
LMNA P02545 2/20 0.37
KPNA2 P52292 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
THRB P10828 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 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
SCHEMBL4428003 0.94 DRD3 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTTP53
SCHEMBL4882283 0.93 CCR3 (0.38) THRB
SCHEMBL4432781 0.92 NPFFR1 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTTP53
SCHEMBL4437192 0.92 CRHBP (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTTP53
SCHEMBL4432573 0.91 TNKS (0.38) MAPTLMNACHRM1
SCHEMBL4433331 0.91 TNKS (0.39) KMT2A
SCHEMBL4888481 0.91 CCR3 (0.40) ALDH1A1KDM4EKMT2ABCL3CHRM1
SCHEMBL4430196 0.90 DRD4 (0.36)
SCHEMBL4888759 0.89 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL4430408 0.89 UTS2R (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 SMN1; SMN2 2228/4885ALDH1A1 4139/4885KDM4E 4604/4885

“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.