SCHEMBL3578786

SCHEMBL3578786

COc1ccccc1Cn1nc(NC(=O)c2ccc3c(c2)CCNC3)cc1C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.65
ROCK2 O75116 2/20 0.46
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRKG1 Q13976 1/20 0.42
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NPC1 O15118 1/20 0.42
MAP3K5 Q99683 1/20 0.42
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL3583491 0.99 PTGER1 (0.66) PTGER1ROCK2CYP3A4LMNACYP1A2
SCHEMBL3579975 0.90 PTGER1 (0.62) PTGER1ROCK2WNT1GSK3BDYRK1A
SCHEMBL3179566 0.89 PTGER1 (0.64) PTGER1ROCK2CYP3A4LMNATSHR
Hydrochloric Acid SCHEMBL3575597 0.89 PTGER1 (0.62) PTGER1ROCK2WNT1GSK3BDYRK1A
SCHEMBL3578834 0.89 PTGER1 (0.81) PTGER1
SCHEMBL3177719 0.89 PTGER1 (0.64) PTGER1ROCK2CYP3A4LMNACYP2C19
Hydrochloric Acid SCHEMBL3583126 0.88 PTGER1 (0.82) PTGER1
Hydrochloric Acid SCHEMBL3176401 0.88 PTGER1 (0.64) PTGER1CYP3A4WNT1GSK3BDYRK1A
SCHEMBL3190545 0.88 PTGER1 (0.67) PTGER1CYP3A4LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL3169945 0.87 PTGER1 (0.68) PTGER1CYP3A4WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US claimed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
WO-2008074833-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO 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-20100048617-A1 COMPOUNDS SCD, SCD5, CYP11B2 PTGER1 928/4885ROCK2 2537/4885CYP3A4 13/4885

“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.