SCHEMBL2227189

SCHEMBL2227189

N#CC1(c2nc(-c3ccncc3)cs2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
CNR2 P34972 7/20 0.41
CNR1 P21554 6/20 0.41
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ELOVL1 Q9BW60 1/20 0.34

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
SCHEMBL2221989 0.89 AR (0.47) ARCNR2CNR1KDM4EKMT2A
SCHEMBL2226898 0.87 RAB9A (0.49) ARCNR2CNR1KDM4EKMT2A
SCHEMBL2224539 0.87 RAB9A (0.49) CNR2CNR1KDM4EKMT2ASMN1; SMN2
SCHEMBL2224811 0.87 RAB9A (0.49) CNR2CNR1KDM4EKMT2ACYP1A2
SCHEMBL2225439 0.86 L3MBTL1 (0.45) ARCNR2CNR1KDM4EKMT2A
SCHEMBL2225142 0.84 MAPT (0.47) CNR2CNR1KDM4EKMT2ACYP1A1
SCHEMBL2227668 0.83 KDM4E (0.44) KDM4EKMT2ACYP1A2CYP19A1SMN1; SMN2
SCHEMBL2224556 0.82 CNR2 (0.45) ARCNR2CNR1KDM4EKMT2A
SCHEMBL2224643 0.81 AR (0.50) ARKDM4EKMT2ACYP1A1CYP1A2
SCHEMBL2227233 0.79 ALDH1A1 (0.47) ARKDM4EKMT2ACYP1A2SMN1; SMN2

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 AR 130/4885CNR2 441/4885CNR1 236/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AR 130/4885CNR2 441/4885CNR1 236/4885

“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.