SCHEMBL23875092

SCHEMBL23875092

O=C(O)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
HIF1A Q16665 2/20 0.81
HSD17B10 Q99714 2/20 0.81
JMJD7 P0C870 1/20 0.81
CYP2D6 P10635 1/20 0.81
TEAD4 Q15561 1/20 0.78
RCE1 Q9Y256 7/20 0.77
P4HB P07237 4/20 0.77
ALDH1A1 P00352 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
HPGD P15428 1/20 0.77
MAPT P10636 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
GRK6 P43250 1/20 0.68
KDM4E B2RXH2 1/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67

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
SCHEMBL21842444 0.90 P4HB (0.77) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL5090192 0.90 TP53 (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL21842443 0.89 P4HB (0.74) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL23875094 0.89 P4HB (0.74) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL29962903 0.87 RCE1 (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL23359134 0.87 RCE1 (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL31741895 0.87 RCE1 (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL31741894 0.87 RCE1 (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL23854803 0.85 TP53 (0.82) TP53CYP2C9CYP2C19HIF1AHSD17B10
SCHEMBL13836221 0.85 P4HB (1.00) TP53CYP2C9CYP2C19HIF1AHSD17B10

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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 TP53 4180/4885CYP2C9 3278/4885CYP2C19 3294/4885

“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.