SCHEMBL2539930

SCHEMBL2539930

O=C(O)Nc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 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
SCHEMBL3760047 0.81 PTPN11 (0.55)
SCHEMBL10778839 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL751586 0.79 SMN1; SMN2 (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2
Water SCHEMBL9215020 0.79 EPHX2 (0.67) SMN1; SMN2TP53EPHX1TSHREPHX2
Water SCHEMBL9215017 0.79 EPHX2 (0.67) SMN1; SMN2TP53EPHX1TSHREPHX2
Hydrochloric Acid SCHEMBL11405284 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL55829 0.78 PEPD (0.58) HSD17B10NPC1MAPT
SCHEMBL19602 0.78 SMN1; SMN2 (0.60) SMN1; SMN2TP53TSHRL3MBTL1NAPRT
SCHEMBL4188342 0.76 NPC1 (0.52) SMN1; SMN2TP53L3MBTL1TDP1POLB
SCHEMBL28349149 0.76 SMN1; SMN2 (0.58) SMN1; SMN2TP53TSHRL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US claimed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
WO-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO claimed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO claimed
US-20240027454-A1 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2024-01-25 US disclosed
US-11740241-B2 Construct including an anchor, an enzyme recognition site and an indicator region for detecting microbial infection in wounds SYNOVO GMBH (DE) 2023-08-29 US disclosed
CN-109564213-B Detecting microbial wound infection 西诺福有限公司 2023-01-31 CN disclosed
US-20210088518-A1 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2021-03-25 US disclosed
CN-109564213-A Detecting microbial wound infection 西诺福有限公司 2019-04-02 CN disclosed
US-4195146-A THERMOSETTING RESINS ICI AMERICAS INC. (US) 1980-03-25 US disclosed
US-4195146-A THERMOSETTING RESINS ICI AMERICAS INC. (US) 1980-03-25 US disclosed
EP-0000659-A1 An isocyanurate composition formed by the trimerisation of an isocyanate group containing urethane of an aromatic polyisocyanate and a vinylidenecarbonyloxyalkanol and solutions, polymers and laminates obtained therefrom. ICI AMERICAS INC. (US) 1979-02-07 EP disclosed
EP-0000659-A1 An isocyanurate composition formed by the trimerisation of an isocyanate group containing urethane of an aromatic polyisocyanate and a vinylidenecarbonyloxyalkanol and solutions, polymers and laminates obtained therefrom. ICI AMERICAS INC. (US) 1979-02-07 EP disclosed
US-4101380-A USING POLYOXYETHYLENE GLYCOL DERIVATIVES AND ACTIBATED CARBOXYLIC ESTERS RESEARCH PRODUCTS REHOVOT LTD. (IL) 1978-07-18 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 (2 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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 SMN1; SMN2 1949/4885TP53 2921/4885EPHX1 2731/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 SMN1; SMN2 1923/4885TP53 1745/4885EPHX1 3018/4885

“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.