SCHEMBL3049175

SCHEMBL3049175

CC(C)(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.61
CREBBP Q92793 2/20 0.61
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
PABPC1 P11940 1/20 0.50
LMNA P02545 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
KCNH2 Q12809 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL18887550 0.90 F2 (0.52) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL3045320 0.90 F2 (0.52) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL3042978 0.90 F2 (0.52) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL3033434 0.88 CYP2C9 (0.48) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL3042995 0.86 PABPC1 (0.55) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL14723789 0.80 KCNH2 (0.55) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL13379386 0.79 NPC1 (0.76) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL18887505 0.78 KCNH2 (0.58) EP300CREBBPCYP2C9CYP2C19ALDH1A1
SCHEMBL14723642 0.78 ALDH1A1 (0.56) CYP2C9CYP2C19ALDH1A1MAPK1HTT
SCHEMBL18887562 0.78 LMNA (0.52) EP300CREBBPCYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EP300 1422/4885CREBBP 1871/4885CYP2C9 2585/4885

“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.