SCHEMBL381248

SCHEMBL381248

COc1ccc(Cn2nc(CCC(=O)N3CCC[C@H](c4ccccc4)C3)c3c(Cl)nccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 3/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
LRRK2 Q5S007 1/20 0.44
HSD11B1 P28845 1/20 0.42
PROKR1 Q8TCW9 4/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GFER P55789 2/20 0.40
BTK Q06187 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39

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
SCHEMBL381249 1.00 ALDH1A1 (0.49) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL414422 0.92 ALDH1A1 (0.49) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL414423 0.92 ALDH1A1 (0.49) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL444498 0.80 LMNA (0.45) LMNATSHRTP53GAA
SCHEMBL415781 0.77 CYP11B1 (0.47) LMNAKDM4EPOLB
SCHEMBL3761983 0.76 ALDH1A1 (0.51) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL13006236 0.76 ALDH1A1 (0.51) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL19547981 0.76 KCNH2 (0.41) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL3761979 0.74 ALDH1A1 (0.44) ALDH1A1LMNARAB9AHPGDHIF1A
SCHEMBL410640 0.71 LRRK2 (0.60) ALDH1A1LMNARAB9AHPGDHIF1A

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2980/4885LMNA 2925/4885RAB9A 679/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2975/4885LMNA 2870/4885RAB9A 669/4885

“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.