SCHEMBL392116

SCHEMBL392116

CC(C)(C)OC(=O)N(C(=O)C#CCCc1ccccn1)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 5/20 0.36
PABPC1 P11940 1/20 0.36
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL104049 0.76 POLQ (0.39) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL101559 0.70 HDAC1 (0.38) HDAC1HDAC8HDAC6
SCHEMBL5073353 0.67 HIF1A (0.55) CYP1A2KMT2ARAB9AKDM4EALDH1A1
SCHEMBL396820 0.66 KCNQ4 (0.37) HDAC8HDAC6CYP1A2KMT2ARAB9A
SCHEMBL19512657 0.66 HDAC1 (0.46) HDAC1HDAC8HDAC6CYP1A2KMT2A
SCHEMBL7864555 0.65 KDM4E (0.45) CYP1A2KMT2ARAB9AKDM4EALDH1A1
SCHEMBL1007280 0.65 HDAC1 (0.42) HDAC1HDAC8HDAC6RAB9AKDM4E
SCHEMBL2130967 0.65 HDAC1 (0.42) HDAC1HDAC8HDAC6RAB9AALDH1A1
SCHEMBL102349 0.65 PTGDR2 (0.38) RAB9AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL103390 0.65 GRM5 (0.38) KDM4EALDH1A1TDP1NPSR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HDAC1 1509/4885HDAC8 2508/4885HDAC6 1182/4885

“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.