SCHEMBL210775

SCHEMBL210775

COc1ccc2nc(NC(=O)Nc3ccc(C(=O)Nc4ccccc4N)cc3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.73
RAB9A P51151 6/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
NPC1 O15118 5/20 0.70
MAPT P10636 3/20 0.70
HDAC6 Q9UBN7 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
LMNA P02545 1/20 0.70
POLB P06746 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
SCD O00767 13/20 0.67
HDAC3 O15379 1/20 0.63
EPHA2 P29317 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63

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
SCHEMBL214339 0.91 HDAC1 (0.75) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL213831 0.88 HDAC1 (0.82) HDAC1RAB9AMEN1KMT2ANPC1
SCHEMBL1064488 0.84 HDAC1 (1.00) HDAC1RAB9AMEN1KMT2ANPC1
Frentizole SCHEMBL599582 0.83 RAB9A (1.00) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL210774 0.82 RAB9A (0.81) RAB9AMEN1KMT2ANPC1MAPT
Frentizole SCHEMBL11433152 0.82 RAB9A (0.98) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL16553834 0.80 SCD (1.00) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4910697 0.80 SCD (0.82) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4391114 0.80 SCD (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4912951 0.80 SCD (1.00) RAB9AMEN1KMT2ANPC1MAPT

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885RAB9A 3036/4885MEN1 2386/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885RAB9A 3239/4885MEN1 2075/4885

“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.