SCHEMBL5438308

SCHEMBL5438308

CCC1(CCCCc2ccccc2)N=NN=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 6/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAOB P27338 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5246710 0.81 MAPT (0.43) MAOASIGMAR1OPRM1MAOB
SCHEMBL5440552 0.80 MAOB (0.42) MAOASIGMAR1MAOB
SCHEMBL3813667 0.80 MAOB (0.42) MAOASIGMAR1MAOB
SCHEMBL3822512 0.77 SIGMAR1 (0.38) L3MBTL1MAOASIGMAR1ADRA1ASLC6A3
SCHEMBL5282068 0.76 MMP2 (0.49) SIGMAR1KCNH2MEN1KMT2ATP53
SCHEMBL5280214 0.76 TP53 (0.41) MAOAOPRM1MAOBTP53
SCHEMBL5274739 0.75 MMP2 (0.51) SIGMAR1KCNH2MEN1KMT2ATP53
SCHEMBL5274927 0.74 MMP2 (0.43) SIGMAR1KCNH2OPRM1MEN1KMT2A
SCHEMBL5281313 0.71 TSHR (0.33)
SCHEMBL451456 0.69 MAOA (0.74) L3MBTL1MAOASIGMAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 L3MBTL1 1465/4885MAOA 317/4885SIGMAR1 136/4885

“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.