SCHEMBL4898030

SCHEMBL4898030

O=Cc1ccc(-c2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
HPGDS O60760 1/20 0.44
LDHA P00338 1/20 0.43
DHODH Q02127 1/20 0.43
HDAC1 Q13547 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL2686342 0.83 KMT2A (0.54) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL4897229 0.80 HDAC1 (0.52) NPC1RAB9AMEN1KMT2ABLM
SCHEMBL3610675 0.79 HDAC1 (0.51) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL2718039 0.75 LDHA (0.52) BAZ2BHPGDSLDHA
SCHEMBL30382878 0.75 LDHA (0.52) BAZ2BHPGDSLDHA
SCHEMBL4509296 0.75 PTPN1 (0.53) PTPN1NPC1RAB9AMEN1KMT2A
SCHEMBL12136747 0.72 NPC1 (0.59) PTPN1PTPN2NPC1RAB9AMEN1
SCHEMBL28428411 0.72 HCAR3 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29883016 0.72 HCAR3 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL30747787 0.72 CYP11B1 (0.56) NPC1RAB9ALDHASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2007071956-A1 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 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 (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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 PTPN1 4245/4885PTPN2 4164/4885NPC1 2826/4885

“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.