SCHEMBL7680758

SCHEMBL7680758

CCCC(C(=O)O)c1cc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40
PTGS2 P35354 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 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
SCHEMBL7678361 0.92 ALDH1A1 (0.42) MAPTALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL7675547 0.85 PTGS2 (0.42) MAPTALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL7680774 0.84 ABCB11 (0.57) MAPTALDH1A1TDP1SRD5A2ABCB11
SCHEMBL7674936 0.81 SLC6A3 (0.43) MAPTALDH1A1TDP1SLC6A3KDM4E
SCHEMBL7680454 0.81 SLC6A4 (0.42) ALDH1A1TDP1SLC6A4SRD5A2ABCB11
SCHEMBL7684691 0.78 CYP2C19 (0.46) MAPTALDH1A1SLC6A4KDM4EPOLB
SCHEMBL7680837 0.76 CNR2 (0.40) ALDH1A1KDM4EABCB11PTGS2LMNA
SCHEMBL7674913 0.76 ABCB11 (0.53) MAPTALDH1A1TDP1KDM4EABCB11
SCHEMBL7676680 0.75 SLC6A2 (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3ABCB11
SCHEMBL7678859 0.75 PTGS2 (0.69) MAPTALDH1A1TDP1SRD5A2KDM4E

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-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

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 MAPT 4570/4885ALDH1A1 208/4885TDP1 925/4885

“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.