SCHEMBL6582780

SCHEMBL6582780

COc1cc(Cl)c2c(c1)C(=O)CCO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 4/20 0.36
PDE7A Q13946 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
XDH P47989 2/20 0.35
GRM5 P41594 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2A6 P11509 1/20 0.33
EGFR P00533 1/20 0.33

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
Hydrochloric Acid SCHEMBL7401466 0.97 MAPT (0.38) MAPTLMNAMAOBPDE7AKDM4E
SCHEMBL7401468 0.96 MAPT (0.37) MAPTLMNAMAOBPDE7AKDM4E
SCHEMBL67615 0.78 MEN1 (0.46) MAPTLMNAMAOBGRM5MAOA
SCHEMBL30543406 0.78 MEN1 (0.46) MAPTLMNAMAOBGRM5MAOA
SCHEMBL87071 0.76 MAOB (0.37) MAOBGRM5MAOA
SCHEMBL10741838 0.76 SIRT2 (0.44) MAOBGRM5MAOA
SCHEMBL12316691 0.75 LMNA (0.49) MAPTLMNAMAOBKDM4EGRM5
SCHEMBL25196987 0.73 ALDH1A1 (0.41) PDE7AKDM4EHTTXDHALDH1A1
SCHEMBL30047417 0.73 ALDH1A1 (0.41) PDE7AKDM4EHTTXDHALDH1A1
SCHEMBL29222599 0.72 MAOB (0.34) MAOBGRM5MAOA

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
WO-2025226545-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-10-30 WO disclosed
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MAPT 4837/4885LMNA 986/4885MAOB 504/4885

“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.