SCHEMBL4237244

SCHEMBL4237244

O=C(NCc1ccccc1)C(NCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRB2 P47870 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MEP1B Q16820 2/20 0.50
OGT O15294 1/20 0.48

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
Fumaric Acid SCHEMBL4233827 0.94 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C19PLAAT3PLAAT5
Fumaric Acid SCHEMBL4233829 0.94 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C19PLAAT3PLAAT5
SCHEMBL4225488 0.89 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL4227398 0.88 L3MBTL1 (0.49) CYP1A2CYP2C19ALDH1A1LMNASMN1; SMN2
SCHEMBL11350168 0.85 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19PLAAT3PLAAT5
Fumaric Acid SCHEMBL4231652 0.84 ALDH1A1 (0.58) CYP2D6CYP2C19ALDH1A1LMNASMN1; SMN2
Fumaric Acid SCHEMBL4231644 0.84 ALDH1A1 (0.58) CYP2D6CYP2C19ALDH1A1LMNASMN1; SMN2
Fumaric Acid SCHEMBL4226828 0.84 TDP1 (0.58) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Fumaric Acid SCHEMBL4232774 0.84 SMN1; SMN2 (0.56) GABRB1GABRB2SMN1; SMN2
Fumaric Acid SCHEMBL4232765 0.84 SMN1; SMN2 (0.56) GABRB1GABRB2SMN1; SMN2

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
CN-101253147-A Organic compounds NOVARTIS PHARMA AG (CH) 2008-08-27 CN disclosed
EP-1924551-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-05-28 EP disclosed
WO-2007025709-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-03-08 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 CYP1A2 604/4885CYP2D6 111/4885CYP2C19 263/4885

“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.