SCHEMBL4222471

SCHEMBL4222471

Cc1ccc(Nc2ccc(C=O)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CYP2A6 P11509 1/20 0.48
GRM5 P41594 2/20 0.47
MAPT P10636 5/20 0.46
HAO1 Q9UJM8 1/20 0.44
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK14 Q16539 1/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PDE10A Q9Y233 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 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
SCHEMBL10548812 0.83 HCAR3 (0.56) KDM4ECYP2A6GRM5MAPTMAPK1
SCHEMBL11563207 0.80 HAO1 (0.53) GRM5MAPTHAO1RAB9AMEN1
SCHEMBL4227395 0.79 P4HTM (0.50) KDM4EGRM5MAPTMAPK1PIK3CA
SCHEMBL4227391 0.79 P4HTM (0.50) KDM4EGRM5MAPTMAPK1PIK3CA
SCHEMBL16055215 0.78 HDAC3 (0.44) KDM4EGRM5MAPK1RAB9AMEN1
SCHEMBL27909524 0.77 SCN5A (0.48) KDM4EMAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL4217277 0.76 HDAC1 (0.53) KDM4EGRM5MAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL4217280 0.76 HDAC1 (0.53) KDM4EGRM5MAPTRAB9AMEN1
SCHEMBL29882882 0.75 ALDH1A1 (0.61) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28428419 0.75 ALDH1A1 (0.61) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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-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
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO 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 KDM4E 200/4885CYP2A6 2573/4885GRM5 855/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 KDM4E 195/4885CYP2A6 2233/4885GRM5 693/4885

“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.