SCHEMBL2225810

SCHEMBL2225810

N#CC1(c2cc(-c3ccccc3)cs2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
CTSC P53634 1/20 0.34
MMP12 P39900 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
USP30 Q70CQ3 1/20 0.33
BACE1 P56817 5/20 0.33
CTSD P07339 4/20 0.33
PIK3CD O00329 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30

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
SCHEMBL2225871 0.75 PIK3CD (0.47) PIK3CDPRKACAPRKACGPRKACB
SCHEMBL2225640 0.74 SLC6A4 (0.44) ARMMP12PRKACAPRKACGPRKACB
SCHEMBL2226905 0.72 CDK5 (0.39) ARNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2221989 0.72 AR (0.47) ARNPC1RAB9AALDH1A1CNR1
SCHEMBL626037 0.71 OPRM1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31582660 0.66 HCRTR2 (0.35) CNR1
Biphenyl SCHEMBL22123804 0.66 ALDH1A1 (0.60) ARNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25153966 0.65 OPRM1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23973071 0.64 BACE1 (0.33) BACE1
SCHEMBL2226360 0.64 NR1H2 (0.41) NPC1RAB9AUSP30SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AR 130/4885CTSC 4000/4885MMP12 3397/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AR 130/4885CTSC 4000/4885MMP12 3397/4885

“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.