SCHEMBL17452422

SCHEMBL17452422

C/C(=N\NC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MAPT P10636 1/20 0.46

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
SCHEMBL15897595 0.89 FAAH (0.56) GAAL3MBTL1CA1CA2KMT2A
SCHEMBL17452431 0.84 MAPT (0.58) GAAL3MBTL1CA1CA2KMT2A
SCHEMBL17453758 0.81 MAPT (0.68) GAAL3MBTL1CA1CA2KMT2A
SCHEMBL27177969 0.75 MAPT (0.65) GAAL3MBTL1KMT2ASMN1; SMN2RAB9A
SCHEMBL27177964 0.75 MAPT (0.65) GAAL3MBTL1KMT2ASMN1; SMN2RAB9A
SCHEMBL9523014 0.74 S1PR4 (0.69) GAAL3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL15897537 0.73 — —
SCHEMBL17453764 0.73 MEN1 (0.58) GAAL3MBTL1CA1CA2KMT2A
SCHEMBL30051979 0.73 MAPT (0.67) GAAL3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL20080851 0.73 LMNA (0.72) L3MBTL1KMT2ASMN1; SMN2POLBRAB9A

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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 — — 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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 GAA 1322/4885L3MBTL1 794/4885CA1 1178/4885

“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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