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Sugi Predict / Compounds / SCHEMBL3846150

SCHEMBL3846150

SCHEMBL3846150

COc1ccc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.74
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2D6 P10635 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP2C8 P10632 1/20 0.64
▸ CYP2B6 P20813 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.50
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL6442954 0.94 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL8530418 0.92 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6443686 0.92 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6442066 0.92 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL13555237 0.92 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6443641 0.90 CYP2C9 (0.65) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6443610 0.89 CYP2C9 (0.66) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6442956 0.87 CYP2C9 (0.69) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6443134 0.87 CYP2C9 (0.64) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL6472734 0.87 CYP2C9 (0.64) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773880-A4 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-09-09 — — EP claimed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 — — US claimed
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 — — EP claimed
WO-2005121175-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-22 — — WO claimed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 — — US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 — — US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 — — US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 — — US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 — — US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 — — US disclosed
EP-1773880-A4 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-09-09 — — EP disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 — — US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 — — US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 — — US disclosed
US-20070287712-A1 Piperazine Enamines as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-20070287712-A1 Piperazine Enamines as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 — — EP disclosed
WO-2005121175-A9 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CHIRON CORP (US) 2006-03-16 — — WO disclosed
WO-2005121175-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-22 — — 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-20080199492-A1 Env Polypeptide Complexes and Methods Of Use CD4, CD74, HAVCR2 CYP2C9 1956/4885CYP3A4 247/4885CYP2D6 975/4885
US-20070287712-A1 Piperazine Enamines as Antiviral Agents INMT, ITPA, IDO1 CYP2C9 2878/4885CYP3A4 982/4885CYP2D6 1064/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 CYP2C9 1956/4885CYP3A4 247/4885CYP2D6 975/4885

“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.