SCHEMBL11298560

SCHEMBL11298560

CCOc1cc(Br)ccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
HRH4 Q9H3N8 1/20 0.46
NR3C1 P04150 2/20 0.42
CCR5 P51681 3/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TSPO P30536 1/20 0.37
SLC6A4 P31645 1/20 0.36

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
SCHEMBL31737849 0.87 CCR5 (0.51) CCR5HTTSMN1; SMN2ALDH1A1SLC6A4
SCHEMBL21043174 0.83 LMNA (0.42) LMNANR3C1CCR5HTTPIK3CD
SCHEMBL11300550 0.78 HRH4 (0.42) HRH4NR3C1CCR5HIF1ASLC6A4
SCHEMBL12930943 0.76 TMEM97 (0.42) LMNANR3C1TSHRHTTPIK3CD
SCHEMBL1907350 0.73 GBA1 (0.41) LMNANR3C1CCR5TSHRHTT
SCHEMBL5002861 0.73 NR3C1 (0.47) LMNANR3C1CCR5TSHRHTT
SCHEMBL11299361 0.72 HTR6 (0.39) LMNAHRH4NR3C1TSHRSMN1; SMN2
SCHEMBL5657840 0.71 PTGDR2 (0.42) LMNATSHRHTTSMN1; SMN2GAA
SCHEMBL20092522 0.71 NR3C1 (0.51) NR3C1TSHRHTT
SCHEMBL1906296 0.70 SMN1; SMN2 (0.41) LMNANR3C1CCR5TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 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 (1 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-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 LMNA 392/4885HRH4 1015/4885NR3C1 1479/4885

“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.