SCHEMBL13453012

SCHEMBL13453012

O=C1Nc2cc(Cl)ccc2C1=Cc1cc(Cl)cc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.57
PSEN1 P49768 2/20 0.57
PSEN2 P49810 2/20 0.57
APH1B Q8WW43 2/20 0.57
NCSTN Q92542 2/20 0.57
APH1A Q96BI3 2/20 0.57
PSENEN Q9NZ42 2/20 0.57
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52

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
SCHEMBL29443843 1.00 LRRK2 (0.57) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL13452839 1.00 LRRK2 (0.57) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL2946023 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL15972742 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL29443838 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL2946025 0.90 LRRK2 (0.60) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249340 0.87 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL249341 0.87 LRRK2 (0.59) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL8220285 0.86 LRRK2 (0.58) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3749415 0.84 LRRK2 (0.74) LRRK2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 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 (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-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 LRRK2 790/4885PSEN1 3245/4885PSEN2 3420/4885
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TPD52L2 LRRK2 828/4885PSEN1 3321/4885PSEN2 3326/4885
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 LRRK2 790/4885PSEN1 3245/4885PSEN2 3420/4885

“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.