SCHEMBL2226404

SCHEMBL2226404

CC(C)(CN)c1cnc(-c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 2/20 0.40
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HPGDS O60760 1/20 0.38
PPARA Q07869 1/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2225435 0.81 HDAC1 (0.46) HDAC1HDAC6CYP11B1CYP11B2ALDH1A1
SCHEMBL2282967 0.75 HDAC1 (0.42) HDAC1HDAC6CYP11B1CYP11B2ALDH1A1
SCHEMBL12789247 0.74 HDAC1 (0.44) HDAC1HDAC6CYP11B1CYP11B2ALDH1A1
SCHEMBL2225330 0.71 LOXL2 (0.51) TAAR1LOXL2CYP3A4CYP2C9HSD17B1
SCHEMBL3492794 0.70 CYP11B1 (0.53) TAAR1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL12775722 0.70 CYP11B1 (0.52) TAAR1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL14814761 0.70 HDAC1 (0.40) HDAC1HDAC6CYP11B1CYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL15757346 0.69 CYP11B1 (0.51) TAAR1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL6615513 0.69 GAA (0.53) HDAC6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2226543 0.68 HDAC1 (0.52) TAAR1HDAC1HDAC6CYP11B1CYP11B2

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 15 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-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-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
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 TAAR1 2250/4885HDAC1 640/4885HDAC6 1474/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY TAAR1 2250/4885HDAC1 640/4885HDAC6 1474/4885

“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.