SCHEMBL7678702

SCHEMBL7678702

Cn1c(C(=O)c2ccccc2)cc2c1CC(=O)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GLA P06280 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
HDAC10 Q969S8 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP1 P29466 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7675598 0.88 CXCL8 (0.41) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL7676913 0.86 HTT (0.46) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL7676981 0.86 CA12 (0.34) ALDH1A1GLASMN1; SMN2HPGDMAPT
SCHEMBL7681406 0.86 NPC1 (0.39) MAOBALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7675488 0.86 MAOA (0.46) MAOAMAOBALDH1A1SMN1; SMN2HPGD
SCHEMBL7676820 0.84 HRH3 (0.37) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL7683746 0.84 BRPF1 (0.45) ALDH1A1SMN1; SMN2MAPTLMNANPSR1
SCHEMBL7677927 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL7682148 0.83 MAOA (0.39) MAOAMAOBALDH1A1GLAMAPT
SCHEMBL7676875 0.82 MAPT (0.40) SMN1; SMN2MAPTLMNAHSD17B10CYP1A2

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 MAOA 3084/4885MAOB 2812/4885ALDH1A1 208/4885

“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.