SCHEMBL10201555

SCHEMBL10201555

O=C(Nc1cccc(-c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)c1)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.43
▸ SCN9A Q15858 2/20 0.41
▸ SCN3A Q9NY46 2/20 0.41
▸ PSMB8 P28062 2/20 0.40
▸ PARP1 P09874 5/20 0.39
▸ ULK1 O75385 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KISS1R Q969F8 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
SCHEMBL12403437 1.00 DHODH (0.43) DHODHSCN9ASCN3APSMB8PARP1
SCHEMBL12403439 0.92 SCN3A (0.47) DHODHSCN9ASCN3APSMB8PARP1
SCHEMBL12405016 0.87 DHODH (0.39) DHODHSCN9ASCN3APSMB8PARP1
SCHEMBL12403445 0.87 SCN3A (0.37) DHODHSCN9ASCN3APSMB8PARP1
SCHEMBL12406156 0.86 PARP1 (0.46) DHODHSCN9ASCN3APSMB8PARP1
SCHEMBL12406273 0.85 PTGES (0.38) DHODHSCN9ASCN3APARP1
SCHEMBL19488883 0.83 DHODH (0.41) DHODHSCN9ASCN3APSMB8ULK1
SCHEMBL12799037 0.81 SCN10A (0.50) PARP1
SCHEMBL13258526 0.79 HCRTR1 (0.46) POLB
SCHEMBL20966403 0.78 PSMB8 (0.47) DHODHSCN9ASCN3APSMB8PARP1

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-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 — — US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 — — 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 (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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DHODH 1550/4885SCN9A 4692/4885SCN3A 4428/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DHODH 1550/4885SCN9A 4692/4885SCN3A 4428/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DHODH 1550/4885SCN9A 4692/4885SCN3A 4428/4885

“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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