SCHEMBL602459

SCHEMBL602459

CCO[C@H]1CC[C@H](N2CCC(Nc3cc(C)c(Br)cc3N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
PIK3CA P42336 2/20 0.34
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
EHMT2 Q96KQ7 2/20 0.31
NSD2 O96028 2/20 0.31
SIGMAR1 Q99720 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
EGFR P00533 2/20 0.31
DNMT1 P26358 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL602458 1.00 ALOX15 (0.35) ALOX15PIK3CABRD4ATAD2EHMT2
SCHEMBL602226 0.93 PIK3CA (0.36) ALOX15PIK3CABRD4ATAD2EHMT2
SCHEMBL602227 0.93 PIK3CA (0.36) ALOX15PIK3CABRD4ATAD2EHMT2
SCHEMBL14213276 0.88 PIK3CA (0.36) ALOX15PIK3CABRD4ATAD2EHMT2
SCHEMBL600635 0.87 IRAK4 (0.37) ALOX15BRD4ATAD2EHMT2NSD2
SCHEMBL600969 0.87 ALOX15 (0.35) ALOX15BRD4ATAD2EHMT2NSD2
SCHEMBL600636 0.87 IRAK4 (0.37) ALOX15BRD4ATAD2EHMT2NSD2
SCHEMBL600968 0.87 ALOX15 (0.35) ALOX15BRD4ATAD2EHMT2NSD2
SCHEMBL13267829 0.85 BRD4 (0.34) PIK3CABRD4ATAD2EHMT2NSD2
SCHEMBL602519 0.84 ALOX15 (0.35) ALOX15BRD4ATAD2EHMT2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
WO-2007107566-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 ALOX15 3169/4885PIK3CA 3012/4885BRD4 407/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 ALOX15 2841/4885PIK3CA 2820/4885BRD4 499/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 ALOX15 1967/4885PIK3CA 2838/4885BRD4 3304/4885

“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.