SCHEMBL3528282

SCHEMBL3528282

NC(=O)c1ncc2c(n1)CCC(NS(=O)(=O)c1cccc(Br)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CTSL P07711 4/20 0.41
CTSK P43235 4/20 0.41
CTSS P25774 3/20 0.41
CTSC P53634 3/20 0.41
CTSB P07858 1/20 0.41
DCK P27707 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL3528284 0.86 DCK (0.45) HDAC8HDAC6CTSLCTSKCTSS
SCHEMBL3534449 0.81 ALDH1A1 (0.45) HDAC8ALDH1A1LMNA
SCHEMBL3533837 0.80 HDAC8 (0.42) HDAC8
SCHEMBL3530302 0.77 DPP4 (0.44)
SCHEMBL3530763 0.75 F2 (0.43)
SCHEMBL3532383 0.75 PKM (0.42) HDAC8HDAC6
SCHEMBL3529992 0.75 HDAC8 (0.35) HDAC8HDAC6
SCHEMBL3530714 0.72 L3MBTL1 (0.39) HDAC6ALDH1A1
SCHEMBL3531676 0.71 HDAC8 (0.38) HDAC8HDAC6ALDH1A1LMNA
SCHEMBL3536455 0.70 HDAC8 (0.54) HDAC8HDAC6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 HDAC8 2635/4885HDAC6 1732/4885CTSL 2583/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD HDAC8 3342/4885HDAC6 2529/4885CTSL 2470/4885

“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.