SCHEMBL6158872

SCHEMBL6158872

N#Cc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
PDE4B Q07343 1/20 0.48
CYP19A1 P11511 1/20 0.47
ACACB O00763 3/20 0.46
LTA4H P09960 1/20 0.45
GABRA5 P31644 1/20 0.45
MAP4K4 O95819 2/20 0.44
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 1/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1222107 0.84 OPRM1 (0.50) OPRM1PDE4BCYP19A1GABRA5MAP4K4
SCHEMBL8237112 0.83 KDM4E (0.54) OPRM1PDE4BMAP4K4ALDH1A1HTT
SCHEMBL24665295 0.83 OPRM1 (0.52) OPRM1PDE4BCYP19A1MAP4K4MAOB
SCHEMBL6160870 0.83 MEN1 (0.58) OPRM1PDE4BCYP19A1MAP4K4ALOX5AP
SCHEMBL8306759 0.82 PDE4B (0.52) OPRM1PDE4BGABRA5MAP4K4ALOX5AP
SCHEMBL11998352 0.82 ACACB (0.46) OPRM1ACACBLTA4HMAP4K4ALDH1A1
SCHEMBL1222601 0.81 OPRM1 (0.51) OPRM1PDE4BACACBMAP4K4ALDH1A1
SCHEMBL31473410 0.81 PDE4B (0.48) OPRM1PDE4BCYP19A1MAP4K4ALOX5AP
SCHEMBL27297116 0.81 PDE4B (0.48) OPRM1PDE4BCYP19A1MAP4K4ALOX5AP
SCHEMBL27299558 0.81 PDE4B (0.48) OPRM1PDE4BACACBMAP4K4ALOX5AP

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
CN-107011250-B Synthetic method and application of 2- (2, 6-dichlorophenoxy) pyridine compound 温州医科大学 2020-08-11 CN disclosed
US-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 OPRM1 2125/4885PDE4B 4827/4885CYP19A1 1267/4885

“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.