SCHEMBL3758608

SCHEMBL3758608

COc1ccc(C(N)c2nnc(Cl)c3ccc(C)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE5A O76074 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ACHE P22303 1/20 0.35
CASP1 P29466 1/20 0.34
GPR139 Q6DWJ6 2/20 0.34
ATM Q13315 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ROCK1 Q13464 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL3755762 0.95 MAPT (0.36) MAPTCYP19A1ALDH1A1PDE5AS1PR1
SCHEMBL3107694 0.86 PDE5A (0.35) ALDH1A1PDE5ACASP1GPR139KDM4E
SCHEMBL3109998 0.81 GPR139 (0.35) ALDH1A1PDE5ACASP1GPR139KDM4E
SCHEMBL3115946 0.76 MAPT (0.43) MAPTALDH1A1NCOA1NCOA3KDM4E
SCHEMBL3115099 0.76 GRM2 (0.43) MAPTALDH1A1S1PR1S1PR3GPR139
SCHEMBL4834709 0.74 CNR1 (0.45) MAPTALDH1A1ACHECASP1ATM
SCHEMBL3760928 0.72 GPR139 (0.36) MAPTALDH1A1CASP1GPR139KDM4E
SCHEMBL3762536 0.72 GPR139 (0.36) MAPTALDH1A1CASP1GPR139KDM4E
SCHEMBL4834418 0.71 CNR1 (0.45) MAPTALDH1A1CASP1ATMKDM4E
SCHEMBL3758613 0.70 CASP1 (0.47) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US claimed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 MAPT 2963/4885CYP19A1 1378/4885ALDH1A1 1221/4885

“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.