SCHEMBL3533303

SCHEMBL3533303

Cn1c(C(=O)c2ccc(Br)cc2)cnc1SCCCCl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.64
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL3534692 0.89 HRH3 (0.79) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL1380900 0.87 HRH3 (0.80) HRH3ALDH1A1LMNAHPGDMEN1
SCHEMBL1381406 0.84 HRH3 (0.81) HRH3ALDH1A1LMNAHPGD
SCHEMBL3533474 0.82 HRH3 (0.66) HRH3ALDH1A1LMNAHPGDMEN1
SCHEMBL7607565 0.81 HRH3 (0.51) HRH3ALDH1A1LMNAHPGDMEN1
SCHEMBL3533357 0.81 HRH3 (0.51) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL3531356 0.80 HRH3 (0.55) HRH3ALDH1A1LMNAHPGD
SCHEMBL3530603 0.78 HRH3 (1.00) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL3532833 0.78 HRH3 (1.00) HRH3ALDH1A1LMNAHPGDMEN1
SCHEMBL3535932 0.78 HRH3 (0.73) HRH3ALDH1A1LMNAMEN1KMT2A

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-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP claimed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US claimed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP claimed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO claimed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US claimed
US-7807837-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-04 US disclosed
EP-1747203-A4 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
US-7507756-B2 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-24 US disclosed
EP-1373218-B9 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL JANSSEN PHARM (US) 2008-12-03 EP disclosed
EP-1373218-B1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2008-01-09 EP disclosed
US-7265135-B2 2-oxy, 2-amino, and 2-thio-imidazole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1747203-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
WO-2005110998-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250948-A1 Scalable synthesis of imidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20040147577-A1 Heterocyclic compounds BOGENSTAETTER MICHAEL (GB) 2004-07-29 US disclosed
EP-1373218-A1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS Ortho McNeil Pharmaceutical, Inc. (US) 2004-01-02 EP disclosed
US-20020198237-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US disclosed
WO-2002079168-A1 IMIDAZOLYL DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-10 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 (4 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-20090143591-A1 SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES ABL1, NOS2, FLT3 HRH3 2308/4885ALDH1A1 2343/4885LMNA 3611/4885
US-20050250948-A1 Scalable synthesis of imidazole derivatives ABL1, NOS2, FLT3 HRH3 2308/4885ALDH1A1 2343/4885LMNA 3611/4885
US-20020198237-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885ALDH1A1 1526/4885LMNA 4151/4885
US-20040147577-A1 Heterocyclic compounds HRH2, HRH4, HRH1 HRH3 4/4885ALDH1A1 1526/4885LMNA 4151/4885

“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.