SCHEMBL3918809

SCHEMBL3918809

O=C(O)C1=C(C(=O)Nc2ccc(-c3cccnc3)cc2)CCC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.75
NR4A2 P43354 1/20 0.56
KDR P35968 2/20 0.52
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
NAMPT P43490 1/20 0.51
RAB9A P51151 1/20 0.51
CHRNA7 P36544 2/20 0.50
HDAC1 Q13547 1/20 0.48
PARP1 P09874 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
CREBBP Q92793 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
SCHEMBL249112 0.86 DHODH (1.00) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3926473 0.84 DHODH (0.67) DHODHNR4A2KDRNPC1LMNA
SCHEMBL3916153 0.81 DHODH (0.71) DHODHNR4A2
SCHEMBL3915670 0.77 DHODH (0.81) DHODHNR4A2NPC1GAARAB9A
SCHEMBL6168448 0.77 ATR (0.52) DHODHKDRHDAC1CREBBP
SCHEMBL3915577 0.77 DHODH (0.62) DHODHNR4A2MKNK1MKNK2NPC1
SCHEMBL3926504 0.76 DHODH (0.79) DHODHNR4A2LMNAPARP1PARP15
SCHEMBL3990108 0.76 DHODH (0.73) DHODHNR4A2NPC1RAB9APARP1
SCHEMBL14082506 0.75 NAMPT (0.86) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL3916158 0.75 MKNK1 (0.49) DHODHKDRMKNK1MKNK2

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 1/4885NR4A2 800/4885KDR 3760/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885KDR 3747/4885

“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.