SCHEMBL2030731

SCHEMBL2030731

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Br)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 1.00
▸ BLM P54132 14/20 0.78
▸ HTT P42858 4/20 0.76
▸ WRN Q14191 3/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ MCL1 Q07820 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ POLB P06746 2/20 0.76
▸ GAA P10253 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ DNMT1 P26358 1/20 0.76
▸ DUSP3 P51452 1/20 0.76
▸ CACNA1B Q00975 1/20 0.76
▸ APBA1 Q02410 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59

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
SCHEMBL12642191 0.88 BLM (0.78) HPNBLMHTTWRNKDM4E
SCHEMBL11875081 0.88 BLM (0.80) HPNBLMHTTWRNKDM4E
SCHEMBL8559872 0.84 HTT (0.73) HPNBLMHTTWRNKDM4E
SCHEMBL8561964 0.80 HTT (0.75) HPNBLMHTTWRNKDM4E
SCHEMBL8569537 0.78 HTT (1.00) HPNBLMHTTWRNKDM4E
SCHEMBL3467385 0.77 RAB9A (0.69) HPNBLMHTTWRNKDM4E
SCHEMBL24232837 0.76 BLM (0.80) BLMHTTWRNKDM4EMCL1
SCHEMBL8563911 0.75 RAB9A (0.74) HPNBLMHTTWRNKDM4E
SCHEMBL8561139 0.75 HTT (0.67) HPNBLMHTTWRNKDM4E
SCHEMBL18824201 0.75 HSD17B10 (0.61) HPNBLMHTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 — — US 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-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-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-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 1/4885BLM 4402/4885HTT 2265/4885
US-20110144139-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 HPN 1/4885BLM 4402/4885HTT 2265/4885
US-20130289105-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 HPN 1/4885BLM 4402/4885HTT 2265/4885

“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.

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