SCHEMBL5164568

SCHEMBL5164568

N=C(NO)c1cccc(N[C@H](C(=O)Nc2ccc(N3CCCCC3=O)c(F)c2)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.63
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
NPY2R P49146 7/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL5165612 0.91 F10 (0.77) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5164626 0.87 F10 (0.82) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5165647 0.87 F10 (0.82) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5164191 0.85 F10 (0.51) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5164537 0.85 F10 (0.67) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5163726 0.83 F10 (0.56) F10
SCHEMBL5164850 0.83 F10 (0.55) F10
SCHEMBL5164572 0.83 F10 (0.77) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5164860 0.82 F10 (0.63) F10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5164881 0.81 F10 (0.66) F10ALDH1A1MAPTKDM4EPOLB

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-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US claimed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885ALDH1A1 489/4885MAPT 4360/4885

“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.