SCHEMBL43699

SCHEMBL43699

[NH]C1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PLAU P00749 1/20 0.42
ADRA1A P35348 1/20 0.40
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.38
DRD3 P35462 1/20 0.38
PRCP P42785 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL388174 0.84 PLAU (0.58) PLAUTSHRANPEPCA1CA2
SCHEMBL10617795 0.76 TSHR (0.46) TSHR
SCHEMBL11569221 0.73 PLAU (0.52) IDO1PLAUTSHRANPEP
SCHEMBL7587627 0.71 NISCH (0.45)
SCHEMBL7178019 0.71 PLAU (0.44) IDO1PLAUANPEPDRD3PRCP
SCHEMBL12207680 0.69 IDO1 (0.41) IDO1PLAUANPEPDRD3PRCP
SCHEMBL20063792 0.69 ANPEP (0.56) IDO1PLAUANPEP
SCHEMBL73467 0.69 IDO1 (0.46) IDO1PLAUANPEP
SCHEMBL5870921 0.69 IDO1 (0.46) IDO1PLAUTSHRANPEPDRD3
SCHEMBL11824987 0.69 PLAU (0.48) IDO1PLAUTSHRANPEPDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
WO-2021123883-A1 MACROCYCLIC AMIDES ACTING AS PLASMEPSIN INHBITORS FOR THE TREATMENT OF MALARIA LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2021-06-24 WO claimed
WO-2021001697-A1 NOVEL BORONIC ACID CONTAINING PEPTIDOMIMETICS AS MALARIAL SERINE PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2021-01-07 WO claimed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 EP claimed
WO-2017069601-A1 SUBSTITUTED AMINOALKYLAZOLES AS MALARIAL ASPARTIC PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2017-04-27 WO claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
EP-3002287-A1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors National Defense Medical Center (TW) 2016-04-06 EP claimed
WO-2015063544-A1 NOVEL SUBSTITUTED 2-AMINOQUINAZOLIN-4(3H)-ONE DERIVATIVES AS MALARIAL ASPARTIC PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2015-05-07 WO claimed
US-8927717-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-01-06 US claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885PLAU 37/4885ADRA1A 3834/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 IDO1 1625/4885PLAU 1590/4885ADRA1A 182/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885PLAU 671/4885ADRA1A 183/4885

“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.