SCHEMBL14738519

SCHEMBL14738519

N/C(=N/O)c1cncc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
DDO Q99489 1/20 0.55
HCAR2 Q8TDS4 6/20 0.50
POLB P06746 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
RAF1 P04049 1/20 0.36

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
SCHEMBL6976482 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL14738521 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL51830 0.81 HCAR2 (0.70) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1242033 0.79 MKNK1 (0.65) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL20963457 0.79 ATM (0.57) ALDH1A1KDM4ELMNAPOLBCYP2C9
SCHEMBL30614572 0.79 ATM (0.57) ALDH1A1KDM4ELMNAPOLBCYP2C9
SCHEMBL28413815 0.79 ATM (0.57) ALDH1A1KDM4ELMNAPOLBCYP2C9
Hydrochloric Acid SCHEMBL7124062 0.79 HCAR2 (0.67) ALDH1A1KDM4EMEN1KMT2ALMNA
Bromide SCHEMBL21332093 0.79 HCAR2 (0.67) ALDH1A1KDM4EMEN1KMT2ALMNA
Fluoride SCHEMBL21331909 0.79 HCAR2 (0.67) ALDH1A1KDM4EMEN1KMT2ALMNA

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 4 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

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 ALDH1A1 1152/4885KDM4E 2959/4885MEN1 666/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885KDM4E 2959/4885MEN1 666/4885

“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.