SCHEMBL12678473

SCHEMBL12678473

Nc1cccc(N2C(=O)C(Cc3cc(F)cc(F)c3)c3cc(-c4cccc(Cl)c4)ccc32)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ GRM2 Q14416 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ CES2 O00748 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL12678472 0.87 ROCK2 (0.35) PGRALOX5ROCK2GRM2TAAR1
SCHEMBL8063112 0.86 ALOX5 (0.40) PGRALOX5GRM2CLK4GRIN1
SCHEMBL12678475 0.86 SMN1; SMN2 (0.41) PGRALOX5ROCK2GRM2CLK4
SCHEMBL8066822 0.83 PGR (0.35) PGRALOX5ROCK2GRM2CLK4
SCHEMBL12678479 0.83 GRIN1 (0.36) PGRALOX5ROCK2GRM2CLK4
SCHEMBL8813509 0.82 PGR (0.37) PGRALOX5ROCK2GRM2CLK4
SCHEMBL12678469 0.77 SMN1; SMN2 (0.41) ALOX5GRM2GRIN1GRIN2BSMN1; SMN2
SCHEMBL12678449 0.75 BACE1 (0.35) BACE1PGRALOX5ROCK2GRM2
SCHEMBL2786604 0.75 PGR (0.41) BACE1PGRNOS2
SCHEMBL8808686 0.75 PGR (0.41) BACE1PGRNOS2

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-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — 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-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 BACE1 236/4885PGR 4426/4885ALOX5 580/4885

“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.

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