SCHEMBL7675488

SCHEMBL7675488

Cn1c(C(=O)c2cccc(Cl)c2)cc2c1CC(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 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
SCHEMBL7680870 0.86 MAPT (0.43) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL7676913 0.86 HTT (0.46) ALDH1A1HRH3NPC1RAB9AMAPT
SCHEMBL7678702 0.86 MAOA (0.41) MAOAMAOBCLK1DYRK1ADYRK1B
SCHEMBL7683746 0.83 BRPF1 (0.45) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL7678438 0.82 HPGD (0.42) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL7676824 0.81 MAOB (0.37) MAOBCLK1DYRK1ADYRK1BALDH1A1
SCHEMBL7681927 0.81 SMN1; SMN2 (0.49) ALDH1A1RAB9AMAPTHPGDLMNA
SCHEMBL7676782 0.80 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL7675598 0.80 CXCL8 (0.41) MAOAMAOBALDH1A1RAB9AMAPT
SCHEMBL7676875 0.79 MAPT (0.40) HRH3MAPTLMNASMN1; SMN2

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 2812/4885CLK1 3810/4885

“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.