SCHEMBL17855825

SCHEMBL17855825

N#Cc1ccc(-c2ccc(COCc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 1/20 0.50
MAOB P27338 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GHSR Q92847 1/20 0.47
CYP19A1 P11511 2/20 0.46
KIF11 P52732 2/20 0.45
NAAA Q02083 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL3401155 0.93 LOXL2 (0.56) MMP3LOXL2CYP2A6MAOBTSHR
SCHEMBL12807996 0.88 CYP2A6 (0.53) MMP3LOXL2CYP2A6MAOBHRH3
SCHEMBL11213843 0.88 CYP2A6 (0.53) MMP3LOXL2CYP2A6MAOBHRH3
SCHEMBL7062567 0.85 MAOB (0.69) LOXL2CYP2A6MAOBTSHRGHSR
SCHEMBL12736265 0.83 CYP2A6 (0.52) MMP3LOXL2CYP2A6MAOBHRH3
SCHEMBL12736214 0.83 CYP2A6 (0.52) MMP3LOXL2CYP2A6MAOBHRH3
SCHEMBL31224597 0.83 LOXL2 (0.52) LOXL2CYP2A6MAOBGHSRNPC1
SCHEMBL16841039 0.83 MAOB (0.72) MMP3MAOBHRH3GHSRCYP19A1
SCHEMBL11122145 0.83 MAOB (0.56) LOXL2CYP2A6MAOBTSHRCYP19A1
SCHEMBL6162276 0.81 TACR1 (0.47) MAOBGHSRNAAANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
WO-2016107664-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-07-07 WO disclosed
WO-2016096081-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
WO-2016096082-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 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 (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-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 MMP3 549/4885LOXL2 2295/4885CYP2A6 2633/4885

“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.