SCHEMBL7678489

SCHEMBL7678489

CC1C(=O)Oc2cc(C(=O)c3ccc(Cl)cc3)n(C)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
P2RX4 Q99571 1/20 0.39
CYP1A2 P05177 4/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ABCB11 O95342 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL7678067 0.88 CXCL8 (0.41) CYP1A2MAPTCYP2C9L3MBTL1PTGS2
SCHEMBL7678263 0.86 TSHR (0.42) MAPTCYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL7675675 0.85 HTT (0.42) HTTCYP1A2MAPTCYP2C9CYP2D6
SCHEMBL7674662 0.85 HTT (0.39) HTTCYP1A2MAPTCYP2C9CYP2D6
SCHEMBL7678781 0.85 HTT (0.46) HTTMAPTCYP2C9L3MBTL1NPSR1
SCHEMBL7678575 0.84 MAPT (0.41) HTTMAPTL3MBTL1FNTAFNTB
SCHEMBL7677941 0.84 SMN1; SMN2 (0.49) HTTCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7680382 0.84 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1
SCHEMBL7684736 0.75 ATM (0.34) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7675515 0.74 ALDH1A1 (0.35) CYP1A2MAPTCYP2C19L3MBTL1FNTA

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 HTT 2603/4885P2RX4 4180/4885CYP1A2 1487/4885

“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.