SCHEMBL2196604

SCHEMBL2196604

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
ITGB1 P05556 5/20 0.41
ITGA4 P13612 5/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
CCR1 P32246 2/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL2196156 0.91 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ASMN1; SMN2ITGB1
SCHEMBL2198719 0.88 HCRTR1 (0.48) HCRTR1HCRTR2KMT2ASMN1; SMN2ITGB1
SCHEMBL2190466 0.87 HCRTR1 (0.47) HCRTR1HCRTR2KMT2ASMN1; SMN2ITGB1
SCHEMBL2194705 0.87 HCRTR1 (0.47) HCRTR1HCRTR2KMT2ASMN1; SMN2ITGB1
SCHEMBL2192120 0.85 ALDH1A1 (0.47) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2199176 0.84 HCRTR1 (0.45) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2199180 0.84 HCRTR1 (0.45) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13570511 0.84 HCRTR1 (0.45) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13571673 0.83 ALDH1A1 (0.47) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13570490 0.83 HCRTR1 (0.43) HCRTR1HCRTR2KMT2ASMN1; SMN2ALDH1A1

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 4 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

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 HCRTR1 4731/4885HCRTR2 4822/4885KMT2A 3866/4885

“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.