SCHEMBL4684384

SCHEMBL4684384

CC(C)(C)[S+]([O-])/N=C/c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
MITF O75030 1/20 0.41
AGTR1 P30556 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR6 P51684 2/20 0.40
NFKB1 P19838 2/20 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
SCHEMBL4684388 1.00 KDM4E (0.42) KDM4EL3MBTL1GAANPC1RAB9A
SCHEMBL4684391 1.00 KDM4E (0.42) KDM4EL3MBTL1GAANPC1RAB9A
SCHEMBL4684389 1.00 KDM4E (0.42) KDM4EL3MBTL1GAANPC1RAB9A
SCHEMBL4684386 1.00 KDM4E (0.42) KDM4EL3MBTL1GAANPC1RAB9A
SCHEMBL11997066 0.83 LMNA (0.37) KDM4EL3MBTL1GAANPC1RAB9A
SCHEMBL11973478 0.80 PDE10A (0.41) KDM4EL3MBTL1NPC1RAB9ALMNA
SCHEMBL32666305 0.79 AMY1A (0.47) KDM4EL3MBTL1GAAALDH1A1KMT2A
SCHEMBL31569394 0.79 TRIM24 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL29073705 0.79 TRIM24 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL30391123 0.79 TRIM24 (0.45) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed
US-7423154-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2008-09-09 US disclosed
EP-1368325-B1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-7045625-B2 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates ASTRAZENECA AB (SE) 2004-04-22 US disclosed
EP-1368325-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2002070492-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2002-09-12 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 (2 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-20060074238-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT KDM4E 936/4885L3MBTL1 3241/4885GAA 4441/4885
US-20040077861-A1 Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates SRM, SULT2A1, PNMT KDM4E 936/4885L3MBTL1 3241/4885GAA 4441/4885

“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.