SCHEMBL2228668

SCHEMBL2228668

CC(C)(C#N)c1nc(-c2ccccc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
CYP3A4 P08684 4/20 0.49
SREBF2 Q12772 1/20 0.47
RAB9A P51151 6/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 8/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
HIF1A Q16665 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL2228103 0.84 RAB9A (0.49) ALDH1A1CYP3A4RAB9AMAPTLMNA
SCHEMBL2225993 0.84 RAB9A (0.50) ALDH1A1RAB9AHTTMAPTLMNA
SCHEMBL2225540 0.82 LTA4H (0.48) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL799900 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4SREBF2RAB9AMAPT
SCHEMBL21495039 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4SREBF2RAB9AHTT
SCHEMBL2226326 0.78 MAPT (0.36) ALDH1A1RAB9AHTTMAPTPOLB
SCHEMBL19625332 0.78 RAB9A (0.58) ALDH1A1CYP3A4SREBF2RAB9AHTT
SCHEMBL19332570 0.75 HSD17B10 (0.40) ALDH1A1CYP3A4RAB9AKMT2AMEN1
SCHEMBL2225642 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4SREBF2RAB9AMAPT
SCHEMBL15647520 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4SREBF2RAB9AMAPT

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 14 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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN 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 ALDH1A1 1152/4885CYP3A4 216/4885SREBF2 2839/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885CYP3A4 216/4885SREBF2 2839/4885

“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.