SCHEMBL19983300

SCHEMBL19983300

CN(C)c1ccc(/N=N/c2ccc(C(=O)NCc3cc(F)c(O)c(F)c3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
CA2 P00918 1/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48

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
SCHEMBL19983036 0.88 NPC1 (0.48) KDM4EALDH1A1HTTNPC1MAPT
SCHEMBL17013842 0.84 KDM4E (0.59) KDM4EALDH1A1HTTCA2NPC1
SCHEMBL13947103 0.80 ALDH1A1 (0.58) KDM4EALDH1A1HTTNPC1MAPT
SCHEMBL17018435 0.79 SMN1; SMN2 (0.61) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL21091969 0.78 ALDH1A1 (0.88) KDM4EALDH1A1HTTCA2MAPT
SCHEMBL24218436 0.78 KMT2A (0.56) KDM4EALDH1A1HTTCA2NPC1
SCHEMBL28555102 0.78 KMT2A (0.56) KDM4EALDH1A1HTTCA2NPC1
SCHEMBL4737519 0.77 ALDH1A1 (0.76) KDM4EALDH1A1HTTCA2MAPT
Hydrochloric Acid SCHEMBL28938255 0.76 ALDH1A1 (0.85) KDM4EALDH1A1HTTCA2MAPT
SCHEMBL17013845 0.76 KDM4E (0.52) KDM4EALDH1A1HTTCA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
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 (5 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 KDM4E 215/4885ALDH1A1 1494/4885HTT 2638/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP KDM4E 215/4885ALDH1A1 1494/4885HTT 2638/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP KDM4E 215/4885ALDH1A1 1494/4885HTT 2638/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP KDM4E 215/4885ALDH1A1 1494/4885HTT 2638/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP KDM4E 215/4885ALDH1A1 1494/4885HTT 2638/4885

“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.