SCHEMBL6839698

SCHEMBL6839698

NC(=O)c1cccc(N2CCC(OCC(=O)O)CC2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
F10 P00742 7/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6835561 0.89 F10 (0.44) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6842234 0.84 KDM1A (0.49) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6835604 0.84 KDM1A (0.49) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6842249 0.82 F10 (0.45) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6842250 0.79 KDM1A (0.47) KDM1AMAOBF10NPC1RAB9A
Hydrochloric Acid SCHEMBL6839770 0.78 KDM1A (0.46) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6839741 0.78 F10 (0.46) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6839740 0.78 F10 (0.46) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6839746 0.76 KDM1A (0.44) KDM1AMAOBF10NPC1RAB9A
SCHEMBL6839744 0.76 KDM1A (0.44) KDM1AMAOBF10NPC1RAB9A

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 3 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 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 KDM1A 452/4885MAOB 435/4885F10 5/4885

“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.