SCHEMBL7678124

SCHEMBL7678124

Cc1c2c(n(C)c1C(=O)c1ccccc1)CC(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 8/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP3K5 Q99683 1/20 0.34
PTK2B Q14289 1/20 0.33
SRC P12931 1/20 0.33
ELANE P08246 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7682457 0.87 KMT2A (0.34) LMNAHPGDHTTNPC1RAB9A
SCHEMBL7674831 0.87 NPC1 (0.38) LMNAMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7674670 0.87 ABCB11 (0.41) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7677930 0.84 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL7678595 0.83 MAPT (0.41) LMNAMAPTALDH1A1HPGDHTT
SCHEMBL8050588 0.78 PTGS2 (0.55) LMNAALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL7678702 0.71 MAOA (0.41) LMNAMAPTHSD17B10ALDH1A1GLA
SCHEMBL7676801 0.69 ALOX15 (0.35) LMNAMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7677909 0.68 ALDH1A1 (0.35) LMNAMAPTHSD17B10ALDH1A1GLA
SCHEMBL5169856 0.62 ALDH1A1 (0.62) LMNAMAPTHSD17B10ALDH1A1HPGD

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 LMNA 2230/4885MAPT 4570/4885HSD17B10 989/4885

“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.