SCHEMBL3605792

SCHEMBL3605792

Cc1cc(C=O)cc(C)c1NC(=O)CC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 4/20 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
P2RX7 Q99572 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3598832 0.84 RAB9A (0.53) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL2436291 0.84 RAB9A (0.60) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL3598635 0.82 EPHX2 (0.50) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3610507 0.79 RAB9A (0.49) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL3102109 0.79 L3MBTL1 (0.51) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL3094681 0.78 MEN1 (0.50) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL4088389 0.78 TSHR (0.54) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL3106577 0.77 RAB9A (0.64) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL30795846 0.77 RAB9A (0.64) RAB9AKMT2AMEN1GAANPSR1
SCHEMBL2437836 0.75 RAB9A (0.48) RAB9AKMT2AMEN1GAANPC1

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
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
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 (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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 RAB9A 1342/4885KMT2A 398/4885MEN1 1540/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 RAB9A 2330/4885KMT2A 1829/4885MEN1 806/4885

“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.