SCHEMBL2918474

SCHEMBL2918474

COc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
KDM4E B2RXH2 4/20 1.00
POLB P06746 4/20 1.00
ATM Q13315 1/20 1.00
CYP1A1 P04798 2/20 0.71
CYP1B1 Q16678 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2E1 P05181 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C8 P10632 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2A6 P11509 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP4B1 P13584 1/20 0.71
CYP2B6 P20813 1/20 0.71
CYP3A5 P20815 1/20 0.71
CYP2A7 P20853 1/20 0.71
CYP3A7 P24462 1/20 0.71
CYP2F1 P24903 1/20 0.71
CYP2C18 P33260 1/20 0.71

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
SCHEMBL1180215 0.92 MAPT (0.84) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL1181195 0.87 KDM4E (0.75) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL6693465 0.86 MAPT (0.75) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL4279334 0.86 KDM4E (0.75) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL28534175 0.86 KDM4E (0.75) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL7532002 0.85 KDM4E (0.74) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL13394699 0.84 MAPT (0.73) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL13458065 0.84 MAPT (0.73) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL14157031 0.84 KDM4E (0.73) MAPTKDM4EPOLBATMCYP1A1
SCHEMBL26134505 0.84 KDM4E (0.72) MAPTKDM4EPOLBATMCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB MAPT 2307/4885KDM4E 3842/4885POLB 1598/4885

“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.