SCHEMBL2225896

SCHEMBL2225896

NCC1(c2nc(-c3ccccn3)cs2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
CYP19A1 P11511 1/20 0.43
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NPY5R Q15761 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
PPP1CA P62136 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MECP2 P51608 1/20 0.39
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
MBD2 Q9UBB5 1/20 0.39

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
SCHEMBL2223122 0.83 HDAC4 (0.47) ARCYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL2225401 0.81 AR (0.47) ARCYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL2225743 0.79 NPC1 (0.47) CYP19A1CYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL2224643 0.78 AR (0.50) ARCYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL2226062 0.76 PRKACA (0.41) ARCYP1A2MEN1MAPTKMT2A
SCHEMBL2224157 0.76 RAB9A (0.49) SMN1; SMN2MEN1MAPTKMT2ANPSR1
SCHEMBL2225312 0.76 RAB9A (0.49) CYP19A1CYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL2228639 0.76 RAB9A (0.49) ARCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL2225676 0.73 CNR2 (0.45) ARMEN1MAPTKMT2ARAB9A
SCHEMBL2227401 0.73 NPC1 (0.50) CYP19A1CYP1A1CYP1B1SMN1; SMN2MEN1

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 16 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
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 130/4885CYP19A1 44/4885CYP1A1 129/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AR 130/4885CYP19A1 44/4885CYP1A1 129/4885

“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.