SCHEMBL22673876

SCHEMBL22673876

SC1CC=C(c2ccncc2)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDPK1 O15530 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL14772862 0.65 MAPT (0.37) LMNAMAPTPDPK1NOTUM
SCHEMBL28280648 0.62 MAPT (0.92) LMNAMAPTPDPK1NOTUMGAA
SCHEMBL10016924 0.60 MAPT (0.40) LMNAMAPTPDPK1NISCHNOTUM
SCHEMBL9728 0.59 MAPT (1.00) LMNAMAPTPDPK1NOTUMGAA
Hydrochloric Acid SCHEMBL5548691 0.57 MAPT (0.92) LMNAMAPTPDPK1NOTUMGAA
SCHEMBL135626 0.57 MAPT (0.92) LMNAMAPTNOTUM
Hydrogen Sulfide SCHEMBL3929756 0.57 MAPT (0.92) LMNAMAPTPDPK1NOTUMGAA
SCHEMBL9120813 0.57 MAPT (0.92) LMNAMAPTPDPK1NOTUMGAA
SCHEMBL10000032 0.57 MAPT (0.92) LMNAMAPTNOTUM
Hydrochloric Acid SCHEMBL8372850 0.57 MAPT (0.92) LMNAMAPTPDPK1NOTUMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200363382-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY FOR THE STATE OF NEW YORK 2020-11-19 — — 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-20200363382-A1 SELECTIVE OPTICAL AQUEOUS AND NONAQUEOUS DETECTION OF FREE SULFITES PRDX4, PTPN12, PTPN4 LMNA 4647/4885MAPT 4540/4885PDPK1 757/4885

“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.

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