SCHEMBL1650792

SCHEMBL1650792

O=C(O)c1cc2cc3c(cc2nn1)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
IGFBP3 P17936 3/20 0.42
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
CTNNB1 P35222 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 5/20 0.39
SRD5A2 P31213 1/20 0.39
DHODH Q02127 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 2/20 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
SCHEMBL6189191 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1IGFBP3RAB9ASMN1; SMN2
SCHEMBL5553780 0.75 MGAM (0.51) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
Hydrogen Sulfide SCHEMBL28775857 0.73 MGAM (0.50) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
SCHEMBL6389963 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1IGFBP3RAB9ASMN1; SMN2
SCHEMBL527216 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
SCHEMBL30682087 0.72 KMT2A (0.46) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
Urea SCHEMBL6016094 0.71 MGAM (0.47) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
SCHEMBL13163266 0.69 SMN1; SMN2 (0.43) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
SCHEMBL8223252 0.68 PTPN1 (0.44) ALDH1A1MAPK1RAB9ASMN1; SMN2TP53
SCHEMBL4239950 0.67 KDM4E (0.41) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-8486437-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-07-16 US disclosed
US-8481073-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-07-09 US disclosed
US-8460708-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-06-11 US disclosed
US-20130012683-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-01-10 US disclosed
US-8303973-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2012-11-06 US disclosed
EP-1708694-B1 COMPOSITIONS AND METHODS FOR TREATING CONTRACTURE ANGIOTECH INT AG (CH) 2012-07-11 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-20100268288-A1 ELECTRICAL DEVICES AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2010-10-21 US disclosed
US-20050152945-A1 Soft tissue implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-14 US disclosed
US-20050152946-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-14 US disclosed
US-20050149158-A1 Medical implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-07 US disclosed
US-20050149080-A1 Medical implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-07 US disclosed
US-20050143817-A1 Medical implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-06-30 US disclosed
US-20050142162-A1 Soft tissue implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-06-30 US disclosed
WO-2005051871-A2 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051483-A2 ELECTRICAL DEVICES AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051232-A2 SOFT TISSUE IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005046516-A2 MEDICAL IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-05-26 WO 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-20050152946-A1 Implantable sensors and implantable pumps and anti-scarring agents MMP1, CDKN1A, MKI67 ALDH1A1 1386/4885MAPK1 128/4885IGFBP3 283/4885
US-20050142162-A1 Soft tissue implants and anti-scarring agents MMP1, COL2A1, FN1 ALDH1A1 1677/4885MAPK1 1864/4885IGFBP3 107/4885

“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.