SCHEMBL19983030

SCHEMBL19983030

CNC(=O)c1cccc(N=[N+]=[N-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ SLC7A5 Q01650 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ PLAU P00749 1/20 0.37

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
SCHEMBL13724974 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1PTGS2RIPK1
SCHEMBL15714872 0.81 LOXL2 (0.47) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL13947888 0.80 SCN1A (0.56) HDAC8HDAC6SCN1ASCN2ASCN3A
SCHEMBL13653935 0.80 MAOB (0.48) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL13891800 0.80 HDAC8 (0.59) HDAC8HDAC6SLC7A5CDK8L3MBTL3
SCHEMBL14670993 0.78 ALDH1A1 (0.42) ALDH1A1HDAC2HDAC1PTGS2RIPK1
Hydrochloric Acid SCHEMBL28856154 0.78 MAOB (0.47) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL19983141 0.78 PARP1 (0.48) L3MBTL1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL29077427 0.77 PARP1 (0.47) L3MBTL1MEN1KMT2APOLB
SCHEMBL5909363 0.76 HDAC8 (0.83) HDAC8HDAC6SLC7A5CDK8L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 — — US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 — — US disclosed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 — — US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 — — US disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 — — WO 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 (4 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP HDAC8 1091/4885HDAC6 1518/4885SLC7A5 2411/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP HDAC8 1091/4885HDAC6 1518/4885SLC7A5 2411/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP HDAC8 1091/4885HDAC6 1518/4885SLC7A5 2411/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP HDAC8 1091/4885HDAC6 1518/4885SLC7A5 2411/4885

“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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