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Sugi Predict / Compounds / SCHEMBL3598635

SCHEMBL3598635

SCHEMBL3598635

O=Cc1cc(Cl)c(NC(=O)CC2CCCC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ P2RX7 Q99572 3/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL3608727 0.84 RAB9A (0.59) EPHX2L3MBTL1P2RX7NPC1RAB9A
SCHEMBL3605792 0.82 RAB9A (0.52) EPHX2P2RX7NPC1RAB9AKMT2A
SCHEMBL3112881 0.77 RAB9A (0.51) EPHX2L3MBTL1P2RX7NPC1RAB9A
SCHEMBL2437836 0.75 RAB9A (0.48) EPHX2L3MBTL1P2RX7NPC1RAB9A
SCHEMBL19181787 0.75 KCNJ11 (0.47) EPHX2L3MBTL1P2RX7NPC1RAB9A
SCHEMBL3609248 0.73 KCNJ11 (0.46) EPHX2L3MBTL1P2RX7NPC1RAB9A
SCHEMBL6567255 0.73 EPHX2 (0.59) EPHX2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3109754 0.72 RAB9A (0.51) EPHX2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL1948889 0.72 NPC1 (0.69) EPHX2NPC1RAB9AKMT2ACYP1A2
SCHEMBL2436472 0.71 POLB (0.46) EPHX2L3MBTL1P2RX7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 — — US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 — — US disclosed
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 — — US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 — — US disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 — — EP disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 — — WO disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 — — US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 — — 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 (3 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 EPHX2 3980/4885L3MBTL1 1647/4885P2RX7 1434/4885
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 EPHX2 1727/4885L3MBTL1 2753/4885P2RX7 48/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 EPHX2 3893/4885L3MBTL1 3592/4885P2RX7 3051/4885

“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.