SCHEMBL12678475

SCHEMBL12678475

O=C1C(Cc2cc(F)cc(F)c2)c2cc(-c3cccc(Cl)c3)ccc2N1c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX5 P09917 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ CD274 Q9NZQ7 3/20 0.35
▸ PDCD1 Q15116 2/20 0.35
▸ PGR P06401 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CXCR3 P49682 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL12678469 0.91 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5CD274PDCD1GRIN1
SCHEMBL8815542 0.89 SLC6A7 (0.36) ALOX5GRM5PGRALDH1A1GRIN1
SCHEMBL12678479 0.89 GRIN1 (0.36) ALOX5GRM5PGRALDH1A1GRIN1
SCHEMBL12678473 0.86 BACE1 (0.35) SMN1; SMN2ALOX5GRM5PGRGRIN1
SCHEMBL8066822 0.85 PGR (0.35) ALOX5PGRGRIN1GRIN2BCES2
SCHEMBL8813509 0.84 PGR (0.37) SMN1; SMN2ALOX5PGRGRIN1GRIN2B
SCHEMBL12678472 0.84 ROCK2 (0.35) SMN1; SMN2ALOX5PGRGRIN1GRIN2B
SCHEMBL8063112 0.84 ALOX5 (0.40) ALOX5PGRGRIN1GRIN2BCES2
SCHEMBL8064334 0.80 TSHR (0.39) SMN1; SMN2ALOX5CD274PDCD1ALDH1A1
SCHEMBL12678468 0.80 ALOX5 (0.38) ALOX5ALDH1A1GRIN1GRIN2BKMT2A

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 SMN1; SMN2 343/4885ALOX5 580/4885GRM5 292/4885

“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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