SCHEMBL6580393

SCHEMBL6580393

O=C(O)C1(O)CCCc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.49
KDM4C Q9H3R0 1/20 0.42
SRD5A1 P18405 3/20 0.41
SRD5A2 P31213 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
RAD52 P43351 1/20 0.40
KCNK2 O95069 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BCL2L11 O43521 3/20 0.37
MCL1 Q07820 3/20 0.37
BACE1 P56817 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL7170053 0.79 OPRM1 (0.47) KDM1APTGDRPTGDR2
SCHEMBL367096 0.78 AKR1C1 (0.47) KDM1ASIGMAR1
SCHEMBL7967461 0.77 POLA1 (0.52) KDM1ASIGMAR1
SCHEMBL5396757 0.77 POLA1 (0.52) KDM1ASIGMAR1
SCHEMBL6810390 0.76 AKR1C1 (0.39) KDM1AKDM4C
SCHEMBL6580380 0.76 POLB (0.43) SIGMAR1
SCHEMBL6605548 0.75 MAP3K14 (0.49) BACE1
SCHEMBL5399703 0.75 MAP3K14 (0.49) BACE1
SCHEMBL6605552 0.75 MAP3K14 (0.49) BACE1
SCHEMBL21333712 0.73 KDM1A (0.47) KDM1AKDM4CSRD5A1SRD5A2SIGMAR1

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
CN-1205187-C New amidino derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2005-06-08 CN 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
CN-1266427-A Amidino derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2000-09-13 CN disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 WO 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 KDM1A 3307/4885KDM4C 4746/4885SRD5A1 699/4885

“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.