SCHEMBL2029608

SCHEMBL2029608

Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 1.00
MAPT P10636 6/20 0.62
LMNA P02545 5/20 0.62
HTT P42858 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
GAA P10253 3/20 0.60
PAX8 Q06710 2/20 0.60
ALOX5 P09917 4/20 0.60
EPHX2 P34913 4/20 0.60
CCNC P24863 1/20 0.55
CDK8 P49336 1/20 0.55
PTPRE P23469 2/20 0.54
USP2 O75604 1/20 0.53
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5444273 0.87 HPN (0.76) HPNMAPTLMNAHTTMEN1
SCHEMBL2181677 0.79 RAB9A (0.69) HPNMAPTLMNAHTTMEN1
SCHEMBL5443077 0.78 HPN (0.64) HPNMAPTLMNAHTTMEN1
SCHEMBL5442348 0.78 HPN (0.64) HPNMAPTLMNAHTTMEN1
SCHEMBL5435707 0.77 HPN (0.62) HPNMAPTLMNAHTTMEN1
SCHEMBL27806626 0.77 LMNA (0.67) HPNMAPTLMNAHTTMEN1
SCHEMBL244007 0.77 PTPRE (0.65) HPNMAPTLMNAHTTMEN1
SCHEMBL3468827 0.75 PTPRE (0.76) HPNMAPTLMNAHTTMEN1
SCHEMBL5441730 0.73 MAPT (0.62) HPNMAPTLMNAHTTMEN1
SCHEMBL5448580 0.73 HTT (0.72) HPNMAPTLMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017162659-A1 INTRACELLULAR HEPSIN AS THERAPEUTIC TARGET FOR THE TREATMENT OF CANCER WITH CENTROSOME AMPLIFICATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 US disclosed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 US disclosed
US-8664266-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-03-04 US disclosed
US-8664266-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-03-04 US disclosed
US-20130289105-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER CENTER 2013-10-31 US disclosed
US-20130289105-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER CENTER 2013-10-31 US disclosed
US-8450334-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-05-28 US disclosed
US-8450334-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-05-28 US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 US disclosed
WO-2009151920-A2 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2009-12-17 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 (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-20140127127-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 HPN 1/4885MAPT 3363/4885LMNA 2281/4885
US-20110144139-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 HPN 1/4885MAPT 3363/4885LMNA 2281/4885
US-20130289105-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 HPN 1/4885MAPT 3363/4885LMNA 2281/4885

“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.