SCHEMBL4227182

SCHEMBL4227182

O=Cc1cnc(NC2CCCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.39
MCHR1 Q99705 1/20 0.38
KMT5B Q4FZB7 2/20 0.38
KMT5C Q86Y97 2/20 0.38
JAK2 O60674 2/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGDS O60760 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
GABRA1 P14867 1/20 0.36
TACR2 P21452 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
OPRD1 P41143 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
CSNK2B P67870 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4223462 0.84 ALDH1A1 (0.40) MCHR1L3MBTL1HPGDS
SCHEMBL4218975 0.82 MCHR1 (0.40) MCHR1ADORA3ADORA2AADORA1HSD17B10
SCHEMBL4215307 0.81 RAB9A (0.40) KMT2AMCHR1JAK2L3MBTL1ADORA3
SCHEMBL4215301 0.81 RAB9A (0.40) KMT2AMCHR1JAK2L3MBTL1ADORA3
SCHEMBL4225308 0.80 JAK3 (0.45) JAK2
Hydrochloric Acid SCHEMBL4225179 0.78 HDAC6 (0.43) KMT2A
SCHEMBL13428482 0.78 LMNA (0.45) KMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL4225184 0.78 HDAC6 (0.43) KMT2A
SCHEMBL4225888 0.77 SCN1A (0.38) MCHR1
SCHEMBL27677723 0.76 KMT2A (0.42) KMT2AMEN1MCHR1KMT5BKMT5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 KMT2A 40/4885MEN1 4236/4885MCHR1 997/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 KMT2A 43/4885MEN1 4088/4885MCHR1 1149/4885

“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.