SCHEMBL7676773

SCHEMBL7676773

CCCC(C(=O)O)c1ccc(C(=O)c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 2/20 0.35
NOTUM Q6P988 1/20 0.35
CCR2 P41597 1/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7676903 0.81 ALDH1A1 (0.41) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7678367 0.81 HDAC10 (0.42) MEN1KMT2ASMN1; SMN2LMNASLC6A2
SCHEMBL7674448 0.74 CNR2 (0.46) TSHRMEN1KMT2ACNR2SLC6A2
SCHEMBL7680805 0.74 HDAC10 (0.40) CNR2SMN1; SMN2LMNAPOLBRECQL
SCHEMBL7684815 0.72 MAPK1 (0.48) TSHRMEN1KMT2ACNR2SMN1; SMN2
SCHEMBL7678108 0.72 SMN1; SMN2 (0.45) TSHRMEN1KMT2ACNR2SMN1; SMN2
SCHEMBL28569713 0.71 CXCL8 (0.53) SMN1; SMN2LMNASLC6A2SLC6A3POLB
SCHEMBL7678297 0.70 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2LMNARECQL
SCHEMBL7675533 0.70 AKR1B1 (0.48) TSHRMEN1KMT2ACNR2SMN1; SMN2
SCHEMBL7683639 0.69 ALDH1A1 (0.43) TSHRMEN1KMT2ASMN1; SMN2LMNA

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 TSHR 2892/4885MEN1 180/4885KMT2A 514/4885

“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.