SCHEMBL6839798

SCHEMBL6839798

NC(=O)c1cccc(C2=C(C(=O)Nc3ccc(N4CCCCC4=O)cc3)CCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
F10 P00742 9/20 0.51
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HPGDS O60760 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6839857 0.99 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6840558 0.93 F10 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Acetic Acid SCHEMBL6839721 0.89 F10 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6839697 0.89 NPC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6839693 0.88 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6839785 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6807106 0.75 F10 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL5163935 0.75 F10 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL5164072 0.74 NPC1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL6842234 0.73 KDM1A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US claimed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP claimed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO claimed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 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 (1 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 RAB9A 1592/4885NPC1 2264/4885SMN1; SMN2 3408/4885

“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.