SCHEMBL2225183

SCHEMBL2225183

Cc1ncc(C(=O)O)cc1C(N)=NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 3/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL6976830 1.00 HCAR2 (0.41) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL2225177 1.00 HCAR2 (0.41) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL28524469 0.89 KDM4E (0.42) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL30668508 0.82 HCAR2 (0.48) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL6052889 0.82 HCAR2 (0.48) HCAR2KDM4EKMT2AGABRPGABRD
Hydrochloric Acid SCHEMBL28615786 0.80 HCAR2 (0.47) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL846092 0.79 SMN1; SMN2 (0.50) HCAR2KDM4EKMT2AGABRPGABRD
Formamide SCHEMBL28252276 0.78 KDM4E (0.45) HCAR2KDM4EKMT2AGABRPGABRD
SCHEMBL28974060 0.75 KMT2A (0.44) KMT2AALDH1A1MEN1LMNAALOX15
SCHEMBL7356328 0.73 KDM4E (0.47) HCAR2KDM4EKMT2AGABRPGABRD

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 7 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
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-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
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 HCAR2 2316/4885KDM4E 2959/4885KMT2A 1768/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HCAR2 2316/4885KDM4E 2959/4885KMT2A 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.