SCHEMBL1875326

SCHEMBL1875326

CC(=O)Oc1ccc2[nH]cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HTR1D P28221 1/20 0.44
CA2 P00918 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 2/20 0.43
F2 P00734 1/20 0.43
GAA P10253 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL3997475 0.89 RAB9A (0.45) MMP12KDM4EALDH1A1HPGDRAB9A
SCHEMBL30799511 0.89 RAB9A (0.45) MMP12KDM4EALDH1A1HPGDRAB9A
SCHEMBL2017082 0.87 MMP12 (0.63) MMP12PDE3BPDE3AKDM4EALDH1A1
SCHEMBL30138402 0.86 HTR1D (0.47) MMP12HTR1DCA2RAB9ANPC1
SCHEMBL4606421 0.84 MMP12 (0.47) MMP12KDM4EALDH1A1RAB9ANPC1
SCHEMBL6364795 0.84 KMT2A (0.46) MMP12KDM4EALDH1A1HPGDRAB9A
SCHEMBL30138396 0.83 HTR1A (0.48) MMP12HTR1DKDM4EALDH1A1PDGFRB
SCHEMBL29687354 0.83 ELANE (0.47) MMP12HTR1DCA2RAB9ANPC1
SCHEMBL30799913 0.82 CA2 (0.46) MMP12CA2KDM4EALDH1A1HPGD
SCHEMBL29687408 0.81 MMP12 (0.41) MMP12KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US disclosed
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2022-06-28 US disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 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 (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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 MMP12 874/4885PDE3B 2377/4885PDE3A 2225/4885
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, IL4I1 MMP12 1722/4885PDE3B 785/4885PDE3A 782/4885
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 MMP12 2506/4885PDE3B 604/4885PDE3A 857/4885

“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.