SCHEMBL7676895

SCHEMBL7676895

CCOC(=O)Cc1cccn1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.46
GFER P55789 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL11531019 0.87 ALDH1A1 (0.44) RAB9ANPC1GFERKDM4ESMN1; SMN2
SCHEMBL11158867 0.84 MEN1 (0.47) RAB9ANPC1GFERTRPM8KDM4E
SCHEMBL4600718 0.83 CYP4F2 (0.50) NPC1TRPM8KDM4ESMN1; SMN2ALDH1A1
SCHEMBL687742 0.82 ALDH1A1 (0.49) RAB9ANPC1GFERKDM4ESMN1; SMN2
SCHEMBL9031656 0.81 MAPT (0.46) SMN1; SMN2ALDH1A1RECQLMAPT
SCHEMBL11206210 0.81 NPSR1 (0.44) RAB9ANPC1GFERKDM4ESMN1; SMN2
SCHEMBL29020269 0.81 ALDH1A1 (0.60) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11531240 0.78 TSHR (0.53) RAB9ANPC1GFERKDM4ESMN1; SMN2
SCHEMBL11442379 0.77 POLB (0.37) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL23647729 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2ALDH1A1RECQLMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023938-B1 PREPARATION OF PYRROLE-2-ACETATES McNeilab, Inc. (US) 1983-07-20 EP claimed
EP-0023938-A1 Preparation of pyrrole-2-acetates McNeilab, Inc. (US) 1981-02-18 EP claimed
US-4216150-A Preparation of pyrrole-2-acetates MCNEIL LAB, INC. (US) 1980-08-05 US claimed
US-4207237-A Preparation of pyrrole-2-acetates MCNEILAB, INC. (US) 1980-06-10 US claimed
US-4187230-A Preparation of 5-aroyl-pyrrole compounds ETHYL CORPORATION (US) 1980-02-05 US claimed
CN-112661688-B Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2023-04-07 CN disclosed
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-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed
US-4216150-A Preparation of pyrrole-2-acetates MCNEIL LAB, INC. (US) 1980-08-05 US disclosed
US-4207237-A Preparation of pyrrole-2-acetates MCNEILAB, INC. (US) 1980-06-10 US disclosed
EP-0010553-A1 Process of reducing a loweralkyl 1-loweralkyl-pyrrole-2-glyoxylate to a loweralkyl 1-loweralkyl-pyrrole-2-acetate McNeilab, Inc. (US) 1980-05-14 EP disclosed
US-4136097-A COPPER(II) COMPLEX AS PROMOTER MCNEIL LABORATORIES, INC. (US) 1979-01-23 US disclosed
US-4125537-A REDUCTION OF PYRROLE-2-GLYOXYLATES AMINE CATALYZED ACTION OF HYDROGEN SULFIDE IN TERTIARY AMINE SOLVENT MCNEIL LABORATORIES, INCORPORATED (US) 1978-11-14 US disclosed
US-3957818-A PREPARATION OF PYRROLE-2-ACETIC ACID DERIVATIVES MCNEIL LABORATORIES, INCORPORATED (US) 1976-05-18 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 US disclosed
US-3950355-A 5-CHLOROCARBONYL MCNEIL LABORATORIES, INC. (US) 1976-04-13 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 4329/4885NPC1 1644/4885GFER 4273/4885

“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.