SCHEMBL1997538

SCHEMBL1997538

O=Cc1cc2cc([N+](=O)[O-])ccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
MAOA P21397 3/20 0.59
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
POLB P06746 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PTPN1 P18031 1/20 0.52
XDH P47989 1/20 0.52
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F12 P00748 1/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1993747 0.84 MAOB (0.48) MAOBMAOACA12CA9POLB
SCHEMBL6980448 0.80 CYP2A6 (0.56) MAOBMAOACA12CA9POLB
SCHEMBL31415605 0.78 CA12 (0.65) MAOBMAOACA12CA9POLB
SCHEMBL7126754 0.78 POLB (0.65) MAOBMAOACA12CA9POLB
SCHEMBL4385793 0.78 CA12 (0.65) MAOBMAOACA12CA9POLB
SCHEMBL5816621 0.77 MAOB (0.61) MAOBMAOACA12CA9POLB
SCHEMBL831487 0.76 CA12 (0.79) MAOBMAOACA12CA9POLB
SCHEMBL1369655 0.76 MAOB (0.81) MAOBMAOACA12CA9POLB
SCHEMBL3281919 0.76 MAOB (0.80) MAOBMAOACA12CA9POLB
SCHEMBL5606647 0.76 MAOB (0.49) MAOBMAOACA12CA9POLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072228-A1 SPECTRAL IMAGING OF PHOTOLUMINESCENT MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-16 WO claimed
EP-4306106-A1 NITRO-CONTAINING COMPOUNDS, COMPOSITIONS AND USES THEREOF Universidade de Aveiro (PT) 2024-01-17 EP disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 WO disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 US disclosed
WO-2000053313-A2 LANTHANIDE CATALYSTS FOR SYNTHESIS OF COMPOUNDS AND COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-14 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 (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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 MAOB 3538/4885MAOA 3381/4885CA12 2215/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 MAOB 3740/4885MAOA 3509/4885CA12 3546/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK MAOB 867/4885MAOA 1231/4885CA12 4839/4885

“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.