SCHEMBL19625796

SCHEMBL19625796

CC(C)(C)c1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.37
ALDH1A1 P00352 6/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLAU P00749 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL15803003 0.82 PDE2A (0.39) AGBL2ALDH1A1POLBPKMKDM4E
SCHEMBL20457092 0.82 AGBL2 (0.47) AGBL2ALDH1A1POLBL3MBTL1PKM
SCHEMBL24177969 0.78 POLB (0.39) AGBL2ALDH1A1POLBL3MBTL1PKM
SCHEMBL12871592 0.77 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1KDM4ESMN1; SMN2
SCHEMBL12733167 0.77 ALDH1A1 (0.43) AGBL2ALDH1A1POLBPKMKDM4E
SCHEMBL21718458 0.76 HPGD (0.32) AGBL2HPGD
SCHEMBL13865688 0.76 AGBL2 (0.42) AGBL2ALDH1A1POLBL3MBTL1PKM
SCHEMBL1336778 0.75 ALDH1A1 (0.39) AGBL2ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL21719002 0.75 KMT2A (0.46) ALDH1A1L3MBTL1PKMKDM4ESMN1; SMN2
SCHEMBL31153021 0.75 ALDH1A1 (0.39) AGBL2ALDH1A1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 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 (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-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 AGBL2 3152/4885ALDH1A1 308/4885POLB 4264/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 AGBL2 3152/4885ALDH1A1 308/4885POLB 4264/4885

“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.