SCHEMBL7678263

SCHEMBL7678263

CC1C(=O)Oc2cc(C(=O)c3cccc(Cl)c3)n(C)c21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CXCR3 P49682 1/20 0.38
PARP1 P09874 1/20 0.37
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 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
SCHEMBL7678489 0.86 HTT (0.46) TSHRKMT2AMEN1HRH3ALDH1A1
SCHEMBL7678067 0.80 CXCL8 (0.41) KMT2AHRH3ALDH1A1MAPT
SCHEMBL7678781 0.77 HTT (0.46) KMT2AMEN1ALDH1A1MAPT
SCHEMBL7675488 0.76 MAOA (0.46) HRH3ALDH1A1MAPTPKMPARP1
SCHEMBL7675515 0.74 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTCYP2C19
SCHEMBL7678575 0.74 MAPT (0.41) ALDH1A1MAPT
SCHEMBL7675675 0.72 HTT (0.42) TSHRKMT2AHRH3ALDH1A1MAPT
SCHEMBL7674662 0.72 HTT (0.39) TSHRHRH3ALDH1A1MAPTCXCR3
SCHEMBL7680776 0.71 ALDH1A1 (0.39) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL7676766 0.70 ALDH1A1 (0.41) ALDH1A1MAPT

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 TSHR 2892/4885KMT2A 514/4885MEN1 180/4885

“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.