SCHEMBL4999941

SCHEMBL4999941

COc1ccccc1C(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.94
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 1/20 0.64
MEN1 O00255 5/20 0.61
HTT P42858 7/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 1/20 0.59
BCHE P06276 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPK14 Q16539 1/20 0.57
HTR6 P50406 1/20 0.56
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3829032 0.84 LMNA (0.69) KMT2ALMNASMN1; SMN2MEN1HTT
SCHEMBL949387 0.78 DRD2 (0.79) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL17482339 0.78 BCHE (0.69) KMT2ALMNAMEN1HTTMAPK1
SCHEMBL11714770 0.77 HTT (0.90) KMT2ALMNAHTTHSD17B10ALDH1A1
SCHEMBL19766699 0.77 HTT (0.90) KMT2ALMNAHTTHSD17B10ALDH1A1
SCHEMBL6100075 0.75 KMT2A (0.57) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL27563849 0.75 TACR1 (0.57) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL30064669 0.75 KDM4E (0.67) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL11850453 0.74 KMT2A (0.56) KMT2ALMNAMEN1BCHE
SCHEMBL9650859 0.74 KMT2A (0.66) KMT2ALMNASMN1; SMN2MAPTMEN1

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 9 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
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

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 KMT2A 4731/4885LMNA 4015/4885SMN1; SMN2 4794/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 KMT2A 4731/4885LMNA 4015/4885SMN1; SMN2 4794/4885

“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.