SCHEMBL2225142

SCHEMBL2225142

COc1ccc(-c2csc(C3(C#N)CCOCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
CYP19A1 P11511 1/20 0.41
LTA4H P09960 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL2224539 0.84 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2226898 0.84 RAB9A (0.49) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL2224811 0.84 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2227189 0.84 AR (0.47) NPC1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL2221989 0.84 AR (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2225439 0.81 L3MBTL1 (0.45) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL2227401 0.79 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2771855 0.79 CNR1 (0.56) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6525380 0.78 CNR1 (0.55) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2224556 0.77 CNR2 (0.45) MAPTNPC1RAB9AALDH1A1KDM4E

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 13 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
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 MAPT 4479/4885NPC1 585/4885RAB9A 1528/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MAPT 4479/4885NPC1 585/4885RAB9A 1528/4885

“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.