SCHEMBL1773544

SCHEMBL1773544

CCc1cc(N(C)c2ccccc2)ccc1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
PDK2 Q15119 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
POLQ O75417 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NR3C2 P08235 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7620826 0.76 DCLRE1A (0.44) ALDH1A1KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL2964988 0.74 GABRA1 (0.45) POLQALDH1A1CYP2C19CYP1A2
SCHEMBL9052781 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6806145 0.73 MAPT (0.38) ALDH1A1TSHRKMT2AHTTCYP2C19
SCHEMBL1773199 0.72 PTGDR2 (0.39) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL1772317 0.72 RIPK1 (0.43) TSHRKMT2ALMNAHTTMEN1
SCHEMBL9052682 0.70 CYP2C9 (0.45) HSP90AA1KMT2ACYP2D6MEN1CYP2C9
SCHEMBL9053601 0.69 MAOB (0.50) KMT2ALMNAMEN1
SCHEMBL1773405 0.69 KDM4E (0.43) PDK2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL9701945 0.68 CHKA (0.39) HSP90AA1ALDH1A1GLATSHRNR3C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (1 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 HSP90AA1 4064/4885PDK2 560/4885MTNR1A 399/4885

“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.