SCHEMBL16119705

SCHEMBL16119705

O=c1oc2c(Cl)cccc2cc1-c1ncc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TMIGD3 P0DMS9 3/20 0.41
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
ADORA3 P0DMS8 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOB P27338 4/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
CASP1 P29466 2/20 0.36
RAB9A P51151 2/20 0.36
CASP7 P55210 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 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
SCHEMBL16119702 0.77 RXFP1 (0.44) LMNATMIGD3ADORA2AADORA1ADORA3
SCHEMBL16119696 0.77 MAPT (0.41) LMNAADORA3RXFP1MAOBMAPT
SCHEMBL16119593 0.72 ELANE (0.42) TMIGD3ADORA2AADORA1ADORA3MAOB
SCHEMBL19593077 0.70 LIMK1 (0.51) LMNAMAPTTP53CYP1A2KDM4E
SCHEMBL16119534 0.69 THRB (0.51) LMNATMIGD3RXFP1MAOBMAPT
SCHEMBL17517709 0.69 TP53 (0.55) LMNAMAPTTP53CYP1A2THRB
SCHEMBL16119589 0.68 MAPT (0.45) LMNAADORA3MAOBMAPTTP53
SCHEMBL16119633 0.67 RXFP1 (0.45) LMNAADORA2AADORA1ADORA3RXFP1
SCHEMBL16119543 0.67 MAOB (0.46) TMIGD3ADORA2AADORA1ADORA3RXFP1
SCHEMBL16119689 0.66 TP53 (0.74) LMNARXFP1MAOBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
WO-2014152278-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2014-09-25 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-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS CFTR, SLC47A1, ABCB11 LMNA 1837/4885TMIGD3 1397/4885ADORA2A 4553/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 LMNA 1729/4885TMIGD3 2748/4885ADORA2A 4726/4885

“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.