SCHEMBL7678367

SCHEMBL7678367

CCCC(C(=O)O)c1ccc(C(=O)c2ccccc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CXCL8 P10145 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GLO1 Q04760 1/20 0.40
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL7680805 0.92 HDAC10 (0.40) HDAC10CXCL8AKR1B1PTGS1PTGS2
SCHEMBL28569713 0.89 CXCL8 (0.53) SLC6A2SLC6A3CXCL8AKR1B1PTGS1
SCHEMBL7676773 0.81 TSHR (0.42) SLC6A2SLC6A3DRD3ALDH1A1SMN1; SMN2
SCHEMBL7681166 0.77 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7675547 0.77 PTGS2 (0.42) SLC6A2SLC6A3CXCL8PTGS1PTGS2
SCHEMBL7676873 0.76 HTT (0.44) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678514 0.76 CXCL8 (0.42) HDAC10CXCL8AKR1B1PTGS1PTGS2
SCHEMBL28208995 0.72 AKR1C3 (0.44) SLC6A2SLC6A3ALDH1A1LMNAMAPT
SCHEMBL10937459 0.71 HDAC10 (0.53) HDAC10CXCL8AKR1B1PTGS1PTGS2
SCHEMBL8679637 0.71 MAPT (0.60) CXCL8PTGS1PTGS2ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 (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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A HDAC10 50/4885SLC6A2 4555/4885SLC6A3 4426/4885

“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.