SCHEMBL6840558

SCHEMBL6840558

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.58
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
PKM P14618 1/20 0.52
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
HPGDS O60760 1/20 0.44
MAPT P10636 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
Acetic Acid SCHEMBL6839721 0.96 F10 (0.57) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6839798 0.93 RAB9A (0.54) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6839857 0.92 RAB9A (0.55) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6839697 0.91 NPC1 (0.52) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6839785 0.82 RAB9A (0.48) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6839693 0.81 SMN1; SMN2 (0.50) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6807557 0.76 F10 (0.63) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5163957 0.76 F10 (0.66) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5164810 0.76 F10 (0.60) F10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5165467 0.75 F10 (0.68) F10RAB9ANPC1SMN1; 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 1 patent. 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

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 F10 5/4885RAB9A 1592/4885NPC1 2264/4885

“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.