SCHEMBL3602942

SCHEMBL3602942

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47
NAMPT P43490 5/20 0.47
SCD O00767 1/20 0.46
SCD5 Q86SK9 1/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL3601224 0.91 SCD5 (0.51) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3599020 0.90 SMN1; SMN2 (0.57) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL3599343 0.88 ESR2 (0.46) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3601198 0.88 ESR2 (0.46) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL3605404 0.88 NAMPT (0.63) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL3593773 0.87 PTGER1 (0.54) SMN1; SMN2ESR2NAMPTSCDSCD5
SCHEMBL3596504 0.87 SMN1; SMN2 (0.57) MEN1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL3606130 0.86 KDM4E (0.50) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL3603596 0.85 SCD (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3615745 0.85 SCD (0.51) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 MEN1 3499/4885KMT2A 3500/4885KDM4E 1083/4885

“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.