SCHEMBL2228362

SCHEMBL2228362

N#Cc1cc(C(=O)O)cc(/C(N)=N\O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.40
CTBP2 P56545 1/20 0.38
MAP4K4 O95819 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
GPR35 Q9HC97 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
XDH P47989 1/20 0.35
DHODH Q02127 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ADRA1D P25100 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
SCHEMBL2228364 1.00 MRGPRX4 (0.40) MRGPRX4CTBP2MAP4K4PARP15PARP10
SCHEMBL6975611 1.00 MRGPRX4 (0.40) MRGPRX4CTBP2MAP4K4PARP15PARP10
SCHEMBL2511327 0.83 MRGPRX4 (0.45) MRGPRX4CA1CA2GPR35SLC22A12
SCHEMBL2170685 0.79 MRGPRX4 (0.49) MRGPRX4EGLN2CA1CA2GPR35
SCHEMBL5223633 0.77 NOS3 (0.38) PARP15PARP10PARP2XDH
SCHEMBL1421485 0.77 VNN1 (0.36)
SCHEMBL1421484 0.77 VNN1 (0.36)
SCHEMBL6976411 0.77 HCAR1 (0.52) CA1CA2DHODH
SCHEMBL2228247 0.77 HCAR1 (0.52) CA1CA2DHODH
SCHEMBL2228250 0.77 HCAR1 (0.52) CA1CA2DHODH

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 MRGPRX4 95/4885CTBP2 4233/4885MAP4K4 3646/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MRGPRX4 95/4885CTBP2 4233/4885MAP4K4 3646/4885

“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.