SCHEMBL1495574

SCHEMBL1495574

Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(C(O)c3ccccn3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.44
AKR1C4 P17516 6/20 0.44
AKR1C2 P52895 6/20 0.44
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 3/20 0.44
AKR1C1 Q04828 4/20 0.42
HDAC1 Q13547 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL1495439 0.91 WDR5 (0.47) AKR1C3AKR1C4AKR1C2P2RX3P2RX2
SCHEMBL1495387 0.84 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL2760776 0.84 PSEN1 (0.41) AKR1C3AKR1C4AKR1C2P2RX3P2RX2
SCHEMBL2760777 0.84 PSEN1 (0.41) AKR1C3AKR1C4AKR1C2P2RX3P2RX2
SCHEMBL2173876 0.82 P2RX3 (0.50) AKR1C3AKR1C4AKR1C2P2RX3P2RX2
SCHEMBL1495662 0.81 AKR1C3 (0.55) AKR1C3AKR1C4AKR1C2P2RX3P2RX2
SCHEMBL2760945 0.81 P2RX3 (0.46) P2RX3P2RX2NPC1RAB9A
SCHEMBL2760946 0.81 P2RX3 (0.46) P2RX3P2RX2NPC1RAB9A
SCHEMBL1495695 0.79 BRD4 (0.47) BRD4
SCHEMBL12757626 0.79 AKR1C3 (0.50) AKR1C3AKR1C4AKR1C2P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B AKR1C3 973/4885AKR1C4 1109/4885AKR1C2 1626/4885

“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.