SCHEMBL7678233

SCHEMBL7678233

CCOC(=O)Cc1[nH]c(C(=O)c2ccc(Cl)cc2)c(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
CFTR P13569 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL7682026 0.90 ALDH1A1 (0.55) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7678060 0.89 RAB9A (0.45) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7678013 0.87 HPGD (0.45) RAB9AALDH1A1HPGDLMNAMAPT
SCHEMBL7678281 0.87 ALDH1A1 (0.43) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL11204089 0.82 RAB9A (0.43) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7685058 0.80 ALDH1A1 (0.62) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7678151 0.80 RAB9A (0.53) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL8605617 0.79 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7680771 0.77 KMT2A (0.53) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL7678172 0.75 HPGD (0.41) KMT2ARAB9AALDH1A1HPGDLMNA

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 MEN1 180/4885KMT2A 514/4885RAB9A 4329/4885

“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.