SCHEMBL2226326

SCHEMBL2226326

CC(C)(C#N)c1nc(-c2cc(F)cc(F)c2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 4/20 0.33
ALOX5 P09917 1/20 0.33
HPGD P15428 1/20 0.32
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 2/20 0.31
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31

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
SCHEMBL2225993 0.85 RAB9A (0.50) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2228668 0.78 ALDH1A1 (0.49) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2225540 0.77 LTA4H (0.48) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2225766 0.76 MEN1 (0.39) MAPTMEN1KMT2AKDM4EGRM5
SCHEMBL2228103 0.76 RAB9A (0.49) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7229526 0.73 GAA (0.51) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL19332570 0.73 HSD17B10 (0.40) MEN1KMT2AKDM4EGAAGRM5
SCHEMBL19625426 0.72 TRPA1 (0.42) MAPTMEN1KMT2AKDM4EALOX5
SCHEMBL3271623 0.70 GAA (0.60) GAAGRM5
SCHEMBL2224768 0.69 ALDH1A1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1

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
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN 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 MAPT 4479/4885MEN1 666/4885KMT2A 1768/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MAPT 4479/4885MEN1 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.