SCHEMBL2227668

SCHEMBL2227668

N#CC1(c2nc(-c3cccs3)cs2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
NPC1 O15118 7/20 0.44
MAPT P10636 7/20 0.44
HSD17B10 Q99714 6/20 0.44
RAB9A P51151 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP19A1 P11511 1/20 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
SCHEMBL2221989 0.83 AR (0.47) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2227189 0.83 AR (0.47) KDM4EKMT2ANPC1RAB9ACYP1A2
SCHEMBL2224643 0.80 AR (0.50) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2224539 0.78 RAB9A (0.49) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2225743 0.78 NPC1 (0.47) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2226898 0.78 RAB9A (0.49) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2224811 0.78 RAB9A (0.49) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2225439 0.78 L3MBTL1 (0.45) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2224556 0.75 CNR2 (0.45) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL2225142 0.75 MAPT (0.47) KDM4EMEN1KMT2ANPC1MAPT

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 KDM4E 2959/4885MEN1 666/4885KMT2A 1768/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY KDM4E 2959/4885MEN1 666/4885KMT2A 1768/4885

“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.