SCHEMBL984460

SCHEMBL984460

CCCCOc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.68
MAOA P21397 5/20 0.65
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 2/20 0.58
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL22221556 0.97 MAOB (0.64) MAOBMAOARAB9AMAPTMEN1
SCHEMBL14382267 0.95 MAOB (0.62) MAOBMAOARAB9AMAPTMEN1
SCHEMBL984528 0.93 MAOB (0.68) MAOBMAOARAB9AMAPTMEN1
SCHEMBL1276632 0.92 MAOB (0.66) MAOBMAOARAB9AMAPTMEN1
SCHEMBL108114 0.91 MAOB (0.74) MAOBMAOARAB9AMAPTMEN1
SCHEMBL11802724 0.89 MAOB (0.72) MAOBMAOARAB9AMAPTMEN1
SCHEMBL107322 0.89 MAOB (0.83) MAOBMAOARAB9AMAPTMEN1
SCHEMBL7236239 0.86 MAOB (0.71) MAOBMAOARAB9AMAPTMEN1
SCHEMBL984344 0.85 MAOB (0.62) MAOBMAOARAB9AMAPTSMN1; SMN2
SCHEMBL11695159 0.85 MAOB (0.69) MAOBMAOARAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 EP disclosed
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2016-07-07 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed
WO-2008046084-A2 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MAOB 81/4885MAOA 101/4885RAB9A 3201/4885
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 MAOB 153/4885MAOA 298/4885RAB9A 1776/4885

“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.