SCHEMBL4895081

SCHEMBL4895081

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCN(C)CC3)cc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 6/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1A P35348 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL4896142 0.93 CNR1 (0.37) NTRK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4906357 0.93 KDM4E (0.41) NTRK1MEN1KMT2AALDH1A1HIF1A
SCHEMBL4904935 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4576410 0.89 MEN1 (0.39) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4904776 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4576457 0.87 NTRK1 (0.41) NTRK1
SCHEMBL16021048 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4907084 0.86 MEN1 (0.38) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4905474 0.86 MEN1 (0.38) MEN1KMT2AALDH1A1HIF1AKDM4E
SCHEMBL4905923 0.85 KDM4E (0.40) NTRK1MEN1KMT2AKDM4EGRIN2B

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 NTRK1 4631/4885MEN1 4841/4885KMT2A 682/4885

“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.