SCHEMBL6796673

SCHEMBL6796673

O=C(Nc1ccc(NCCc2ccccn2)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.57
CHRNB2 P17787 3/20 0.57
CHRNB4 P30926 3/20 0.57
CHRNA3 P32297 3/20 0.57
CHRNA4 P43681 3/20 0.57
SMO Q99835 2/20 0.56
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CNR1 P21554 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL6791511 0.98 HTT (0.57) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6798643 0.93 ALDH1A1 (0.58) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6789227 0.92 LMNA (0.50) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6792583 0.92 KMT2A (0.56) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6794915 0.91 LMNA (0.49) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6793707 0.91 CNR1 (0.58) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6793890 0.91 RAB9A (0.54) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6794391 0.91 HTT (0.49) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6788981 0.91 HTT (0.49) HTTLMNAALDH1A1CHRNB2CHRNB4
SCHEMBL6787263 0.91 HTT (0.49) HTTLMNAALDH1A1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090069310-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-12 US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 US disclosed
US-20080064688-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-03-13 US disclosed
US-20080045531-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 US disclosed
US-20080045531-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 US disclosed
US-7279576-B2 Anti-cancer medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (6 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-20080064688-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF HTT 3954/4885LMNA 3791/4885ALDH1A1 3257/4885
US-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF HTT 3954/4885LMNA 3791/4885ALDH1A1 3257/4885
US-20090069310-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF HTT 3954/4885LMNA 3791/4885ALDH1A1 3257/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 HTT 3988/4885LMNA 3620/4885ALDH1A1 3608/4885
US-20080045531-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF HTT 3954/4885LMNA 3791/4885ALDH1A1 3257/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 HTT 2566/4885LMNA 1239/4885ALDH1A1 1427/4885

“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.