SCHEMBL3915670

SCHEMBL3915670

O=C(O)C1=C(C(=O)Nc2ccccc2)CCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.81
PARP1 P09874 1/20 0.68
PARP15 Q460N3 1/20 0.68
PARP10 Q53GL7 1/20 0.68
FABP4 P15090 2/20 0.56
FABP5 Q01469 2/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL8762690 0.96 DHODH (0.76) DHODHPARP1PARP15PARP10FABP4
SCHEMBL3915266 0.93 DHODH (0.77) DHODHPARP1PARP15PARP10FABP4
SCHEMBL249112 0.90 DHODH (1.00) DHODHPARP1PARP15PARP10FABP4
SCHEMBL3917931 0.86 DHODH (0.71) DHODHPARP1PARP15PARP10FABP4
SCHEMBL3917932 0.86 DHODH (0.71) DHODHPARP1PARP15PARP10FABP4
SCHEMBL248368 0.86 DHODH (0.71) DHODHPARP1PARP15PARP10NR4A2
SCHEMBL3919704 0.85 DHODH (0.69) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3914856 0.84 DHODH (0.69) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL30913585 0.84 DHODH (0.69) DHODHPARP1PARP15PARP10FABP4
SCHEMBL3914845 0.83 PARP1 (0.61) DHODHPARP1PARP15PARP10NR4A2

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 9 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
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 DHODH 1/4885PARP1 2347/4885PARP15 1803/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885PARP1 2782/4885PARP15 1934/4885

“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.