SCHEMBL5164881

SCHEMBL5164881

Cc1cc(NC(=O)[C@@H](Nc2cccc(C(N)=O)c2)c2ccccc2)ccc1N1CCCCC1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.66
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
PARP1 P09874 3/20 0.39
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 2/20 0.39

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
SCHEMBL5164572 0.93 F10 (0.77) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5167014 0.87 F10 (0.56) F10
SCHEMBL5165361 0.87 F10 (0.56) F10
SCHEMBL5167183 0.87 F10 (0.86) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5166588 0.87 F10 (0.86) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5164562 0.87 F10 (0.86) F10ALDH1A1MAPTKDM4EPOLB
SCHEMBL5166239 0.86 F10 (0.55) F10
SCHEMBL5167174 0.86 F10 (0.55) F10
Hydrochloric Acid SCHEMBL27584043 0.86 F10 (0.55) F10
SCHEMBL5164649 0.86 F10 (0.85) 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 6 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-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US 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.