SCHEMBL5440552

SCHEMBL5440552

[CH2]CCCC1(CCCCCCc2ccccc2)N=NN=N1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
SIGMAR1 Q99720 10/20 0.41
MAOA P21397 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL3813667 0.94 MAOB (0.42) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL5246710 0.82 MAPT (0.43) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL3822512 0.81 SIGMAR1 (0.38) MAOBSIGMAR1MAOA
SCHEMBL38729 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL8496868 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL8498459 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL145792 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL104035 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL304117 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL142556 0.76 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1

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 MAOB 402/4885SIGMAR1 136/4885MAOA 317/4885

“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.