SCHEMBL2192575

SCHEMBL2192575

O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCO4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCO1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.65
ALDH1A1 P00352 9/20 0.65
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
HSD17B10 Q99714 3/20 0.65
LMNA P02545 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 5/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 4/20 0.47
F2 P00734 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL14648053 1.00 HPGD (0.65) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14648037 1.00 HPGD (0.65) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14827626 1.00 HPGD (0.65) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL17474773 0.90 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL17488503 0.90 HPGD (0.54) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2196215 0.88 HPGD (0.50) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2198056 0.88 HPGD (0.50) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14723787 0.86 HPGD (0.50) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2198393 0.86 HPGD (0.50) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14664063 0.85 HPGD (0.49) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10

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
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HPGD 3682/4885ALDH1A1 3778/4885KDM4E 3330/4885

“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.