SCHEMBL3849918

SCHEMBL3849918

O=C(C(=O)N1CCCCC1)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
LMNA P02545 2/20 0.75
ALDH1A1 P00352 2/20 0.75
KDM4E B2RXH2 1/20 0.75
GABRA1 P14867 8/20 0.70
GABRG2 P18507 8/20 0.70
GABRB3 P28472 8/20 0.70
GABRA3 P34903 8/20 0.70
GABRA2 P47869 8/20 0.70
GABRB2 P47870 8/20 0.70
RAB9A P51151 2/20 0.64
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
PKM P14618 1/20 0.60

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
SCHEMBL3994500 0.87 POLB (0.77) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL1558423 0.86 ALDH1A1 (1.00) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL289605 0.85 POLB (0.74) POLBLMNAALDH1A1KDM4ERAB9A
SCHEMBL3843612 0.83 POLB (0.71) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL11681172 0.83 POLB (0.71) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL11786507 0.81 POLB (0.68) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL12751524 0.80 POLB (0.67) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL11771511 0.80 POLB (0.67) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL13116826 0.80 POLB (0.67) POLBLMNAALDH1A1KDM4EGABRA1
SCHEMBL3380253 0.80 POLB (0.67) POLBLMNAALDH1A1KDM4EGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4110459-A ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-08-29 US disclosed
US-4101663-A ANTIHYPERTENSIVES AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4046900-A TRANQUILIZERS, HYPOTENSIVES, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1977-09-06 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 (2 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 POLB 3936/4885LMNA 4015/4885ALDH1A1 4880/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 POLB 3936/4885LMNA 4015/4885ALDH1A1 4880/4885

“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.