SCHEMBL4553023

SCHEMBL4553023

c1ccc2c(c1)ncn2N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
HTT P42858 5/20 0.44
ADRA2A P08913 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
TNF P01375 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PIK3CB P42338 1/20 0.40
FGFR1 P11362 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL739312 0.98 GAA (0.47) TDP1GAAHTTADRA2ALMNA
SCHEMBL29991297 0.98 GAA (0.47) TDP1GAAHTTADRA2ALMNA
SCHEMBL1249938 0.84 TDP1 (0.42) TDP1HTTPOLBHSD17B10
SCHEMBL11609822 0.84 HTT (0.54) TDP1HTTLMNAPOLBPIK3CB
SCHEMBL28536392 0.84 HRH4 (0.47) TDP1HTTADRA2A
SCHEMBL21047640 0.82 MKNK1 (0.42) TDP1GAAHTTPOLBTNF
SCHEMBL10384099 0.81 MKNK1 (0.43) TDP1GAAHTTADRA2ALMNA
SCHEMBL7196401 0.81 TDP1 (0.58) TDP1HTTLMNAPOLBTNF
SCHEMBL21047632 0.81 MKNK1 (0.42) TDP1GAAHTTLMNATSHR
Fluoride SCHEMBL7486853 0.80 HTT (0.54) TDP1GAAHTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4264454-A None JP disclosed
CN-106565644-A 3- alkyl-5-hydroxy-4-aryl furanone derivative and preparation method thereof 上海大学 2017-04-19 CN disclosed
EP-1597229-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-11-18 EP disclosed
US-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-02-15 US disclosed
EP-1597229-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-11-23 EP disclosed
WO-2004076407-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-09-10 WO disclosed
JP-H04264454-A IMAGE FORMING METHOD RICOH CO LTD 1992-09-21 JP disclosed
EP-0013899-A2 Basic dyestuffs and their use in dyeing paper BASF Aktiengesellschaft (DE) 1980-08-06 EP 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 (1 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-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea OXTR, PRLHR, OPRL1 TDP1 3155/4885GAA 4885/4885HTT 3367/4885

“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.