SCHEMBL4458044

SCHEMBL4458044

Cc1cccnc1NC(c1ccccc1)c1ccc2cccnc2c1O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.72
RCE1 Q9Y256 3/20 0.72
TP53 P04637 5/20 0.71
CYP2C9 P11712 4/20 0.71
CYP2C19 P33261 4/20 0.71
HIF1A Q16665 4/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX15 P16050 1/20 0.71
HSD17B10 Q99714 3/20 0.69
JMJD7 P0C870 1/20 0.69
CYP2D6 P10635 1/20 0.69
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP1A2 P05177 2/20 0.62
HPGD P15428 2/20 0.62
HSP90AA1 P07900 2/20 0.62
TEAD4 Q15561 1/20 0.60
SLC2A1 P11166 1/20 0.60

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
SCHEMBL11955290 0.88 P4HB (0.74) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL16810112 0.88 P4HB (0.75) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL1700949 0.85 RCE1 (0.73) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842473 0.84 P4HB (0.81) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11955293 0.84 P4HB (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11955279 0.83 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL16882919 0.82 P4HB (0.72) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842239 0.82 P4HB (0.74) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842238 0.82 P4HB (0.74) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL5090192 0.81 TP53 (1.00) P4HBRCE1TP53CYP2C9CYP2C19

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
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061476-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 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-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P4HB 2252/4885RCE1 360/4885TP53 6/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 P4HB 2832/4885RCE1 2434/4885TP53 4180/4885

“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.