SCHEMBL5577100

SCHEMBL5577100

O=C(O)c1cccc2c1oc1c(=O)[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
PARP1 P09874 12/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
PARP15 Q460N3 1/20 0.44
KEAP1 Q14145 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL69699 0.83 NR4A1 (0.54) NAPRTKDM4EALDH1A1LMNAHPGD
SCHEMBL1893432 0.78 KDM4E (0.65) NAPRTPARP1KDM4EHSD17B10ALDH1A1
SCHEMBL11797746 0.78 TTR (0.51) ALDH1A1LMNAHPGDCYSLTR1GPR35
SCHEMBL10949915 0.76 NR4A1 (0.47) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL783749 0.71 NR4A1 (0.50) KDM4EALDH1A1CYSLTR1GPR35NR4A1
SCHEMBL40257 0.71 NAPRT (0.52) NAPRTPARP1KDM4EALDH1A1KEAP1
SCHEMBL29684913 0.71 NAPRT (0.52) NAPRTPARP1KDM4EALDH1A1KEAP1
SCHEMBL7829853 0.70 PTPN1 (0.46) ALDH1A1LMNAHPGDCYSLTR1GPR35
SCHEMBL23611795 0.70 PARP1 (0.50) NAPRTPARP1KDM4EHSD17B10ALDH1A1
SCHEMBL5577114 0.70 TTR (0.49) PARP1KDM4EHSD17B10ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 US claimed
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 US disclosed
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 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 (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-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A PDE7A, PDE10A, PDE2A NAPRT 1840/4885PARP1 3933/4885KDM4E 1679/4885

“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.