SCHEMBL3916147

SCHEMBL3916147

O=C(O)C1=C(C(=O)Nc2cc(Br)c(OCc3ccccc3)c(Br)c2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 1.00
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44

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
SCHEMBL3926083 0.87 DHODH (0.78) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL247934 0.86 DHODH (0.75) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL247970 0.85 DHODH (1.00) DHODHTHRATHRBLRRK2SMN1; SMN2
SCHEMBL3914512 0.84 DHODH (0.89) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL19417212 0.83 DHODH (0.71) DHODHNPSR1
SCHEMBL19417211 0.82 DHODH (0.70) DHODHNPSR1
SCHEMBL3924492 0.82 DHODH (0.74) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL248176 0.81 DHODH (1.00) DHODHPARP1PARP15PARP10NPSR1
SCHEMBL3919608 0.81 DHODH (0.78) DHODHPARP1PARP15PARP10NR1H4
SCHEMBL10049416 0.81 DHODH (0.69) DHODHPARP1PARP15PARP10NPSR1

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
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
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 1/4885THRA 4362/4885THRB 4223/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885THRA 3276/4885THRB 3160/4885

“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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