SCHEMBL7685125

SCHEMBL7685125

COc1ccc(C(=O)c2ccc(CC#N)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL7676938 0.81 MAPT (0.52) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL7678700 0.81 LMNA (0.43) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL7685026 0.81 MEN1 (0.48) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL11813331 0.80 CA1 (0.49) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL7684478 0.80 TAS1R3 (0.40) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL11711464 0.76 MAPT (0.49) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL11719421 0.76 MEN1 (0.49) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL9792216 0.73 HPGD (0.59) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL3821306 0.70 CYP2A6 (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL9427483 0.69 CYP19A1 (0.55) RAB9AMEN1KMT2ANPC1LMNA

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 5 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
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — 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 RAB9A 4329/4885MEN1 180/4885KMT2A 514/4885

“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.

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