SCHEMBL11955293

SCHEMBL11955293

Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 1.00
RCE1 Q9Y256 4/20 1.00
TP53 P04637 5/20 0.84
CYP2C9 P11712 5/20 0.84
CYP2C19 P33261 5/20 0.84
HIF1A Q16665 5/20 0.84
ALDH1A1 P00352 4/20 0.84
CYP3A4 P08684 2/20 0.84
ALOX15 P16050 1/20 0.84
HSD17B10 Q99714 3/20 0.80
CYP1A2 P05177 2/20 0.80
HPGD P15428 2/20 0.80
JMJD7 P0C870 1/20 0.77
CYP2D6 P10635 1/20 0.77
HSP90AA1 P07900 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
MDM2 Q00987 1/20 0.68

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
SCHEMBL11955279 0.91 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL16501076 0.91 RCE1 (0.84) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL23359134 0.89 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL29962903 0.89 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11973553 0.89 RCE1 (0.80) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL31741894 0.89 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL31741895 0.89 RCE1 (1.00) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL21842473 0.89 P4HB (0.81) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11955291 0.88 RCE1 (0.78) P4HBRCE1TP53CYP2C9CYP2C19
SCHEMBL11955287 0.88 RCE1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 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-20120196853-A1 Novel Quinoline-Hepcidine Antagonists HAMP, SLC40A1, FTH1 P4HB 1974/4885RCE1 260/4885TP53 4470/4885

“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.