SCHEMBL3255662

SCHEMBL3255662

O=C1Cc2cc(C(=O)c3ccccc3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 0.53
AHR P35869 2/20 0.51
PDK2 Q15119 1/20 0.51
ALDH1A1 P00352 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
GRIN2B Q13224 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
EPHX2 P34913 1/20 0.49
TDP2 O95551 1/20 0.48
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL7679044 0.88 SMYD3 (0.53) SMYD3AHRPDK2ALDH1A1AKR1C3
SCHEMBL3581228 0.86 SMYD3 (0.55) SMYD3AHREPHX2
SCHEMBL8918278 0.86 CRBN (0.57) SMYD3ALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL11461325 0.86 AHR (0.66) SMYD3AHREPHX2
SCHEMBL3569829 0.86 SMYD3 (0.55) SMYD3AHREPHX2
SCHEMBL3575509 0.85 SMYD3 (0.52) SMYD3AHREPHX2TDP2GRIA1
SCHEMBL3574586 0.85 SMYD3 (0.52) SMYD3AHREPHX2TDP2GRIA1
SCHEMBL7252586 0.85 EPHX2 (0.54) SMYD3AHREPHX2TDP2GRIA1
SCHEMBL16180358 0.85 PDE3B (0.61) SMYD3AHREPHX2
SCHEMBL688890 0.83 TDP2 (0.61) SMYD3AHREPHX2TDP2

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3975531-A ANTIINFLAMMATORY A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-17 US claimed
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
EP-0164860-A1 N,3-disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1985-12-18 EP disclosed
US-4556672-A 3-Substituted 2-oxindole-1-carboxamides as analgesic and anti-inflammatory agents PFIZER INC. (US) 1985-12-03 US disclosed
EP-0156603-A2 3-Substituted 2-oxindole-1-carboxamides as analgesic and anti-inflammatory agents PFIZER INC. (US) 1985-10-02 EP disclosed
EP-0155828-A2 Process for making 2-oxindole-1-carboxamides and intermediates therefor PFIZER INC. (US) 1985-09-25 EP disclosed
EP-0153818-A2 1,3-Disubstituted 2-oxindoles as analgesic and anti-inflammatory agents PFIZER INC. (US) 1985-09-04 EP disclosed
US-4182774-A Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts thereof A. H. ROBINS COMPANY, INCORPORATED (US) 1980-01-08 US disclosed
US-4126635-A ANTICHOLESTEROL, BLOOD PLATELET AGGREGATION INHIBITION A. H. ROBINS COMPANY, INCORPORATED (US) 1978-11-21 US disclosed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US disclosed
US-3975531-A ANTIINFLAMMATORY A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-17 US disclosed
US-3975531-A ANTIINFLAMMATORY A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-17 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-20110319460-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 SMYD3 1968/4885AHR 2478/4885PDK2 445/4885

“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.