SCHEMBL6839744

SCHEMBL6839744

NC(=O)/C=C1/CCC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)N(c2cccc(C(N)=O)c2)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 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
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
SCHEMBL6839746 1.00 KDM1A (0.44) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6842234 0.86 KDM1A (0.49) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6835604 0.86 KDM1A (0.49) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6839741 0.82 F10 (0.46) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6839740 0.82 F10 (0.46) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6835561 0.80 F10 (0.44) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6842250 0.79 KDM1A (0.47) KDM1AMAOBF10SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6839770 0.79 KDM1A (0.46) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6839698 0.76 KDM1A (0.44) KDM1AMAOBF10SMN1; SMN2ALDH1A1
SCHEMBL6842249 0.76 F10 (0.45) KDM1AMAOBF10SMN1; SMN2ALDH1A1

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 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

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.