SCHEMBL3917105

SCHEMBL3917105

O=C(O)C=CC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ MAPT P10636 5/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ LPAR2 Q9HBW0 3/20 0.89
▸ LPAR3 Q9UBY5 2/20 0.89
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ THRB P10828 2/20 0.68
▸ TDP2 O95551 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ NMT1 P30419 1/20 0.66
▸ POLB P06746 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ LPAR1 Q92633 2/20 0.62
▸ LMNA P02545 1/20 0.60
▸ NR4A1 P22736 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ PKM P14618 2/20 0.58

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
SCHEMBL13381286 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL3917103 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL13381223 0.94 LPAR2 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862048 0.91 ALDH1A1 (0.82) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL2831352 0.88 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL1169889 0.88 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL1683255 0.88 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL11133691 0.88 LPAR2 (0.88) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL11137034 0.88 LPAR2 (0.88) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862114 0.88 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 — — EP disclosed
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 — — EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 — — US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 — — US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 — — US disclosed
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 — — CN disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 — — EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 — — WO disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 — — US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 — — 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 (2 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH ALDH1A1 231/4885MAPT 3233/4885KDM4E 1446/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA ALDH1A1 253/4885MAPT 3275/4885KDM4E 991/4885

“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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