SCHEMBL1495484

SCHEMBL1495484

Cc1ccc(-c2cc(C(=O)NCc3ncc(Cl)cc3Cl)cc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CNR1 P21554 2/20 0.41
P2RX3 P56373 5/20 0.41
P2RX2 Q9UBL9 5/20 0.41
CNR2 P34972 1/20 0.40
SCN2A Q99250 2/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
GRM5 P41594 3/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
KIT P10721 1/20 0.38
MAPT P10636 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL1495640 0.89 AKR1C3 (0.40) AKR1C4AKR1C3AKR1C2P2RX3P2RX2
SCHEMBL1495369 0.88 KDM1A (0.46) AKR1C3LMNAMAPT
SCHEMBL1495450 0.82 AKR1C3 (0.46) AKR1C4AKR1C3AKR1C2CNR1CNR2
SCHEMBL1495494 0.81 AKR1C3 (0.45) AKR1C4AKR1C3AKR1C2P2RX3P2RX2
SCHEMBL1495366 0.81 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL1495403 0.81 AKR1C3 (0.44) AKR1C4AKR1C3AKR1C2P2RX3P2RX2
SCHEMBL1495395 0.81 AKR1C3 (0.44) AKR1C4AKR1C3AKR1C2P2RX3P2RX2
SCHEMBL12757536 0.80 SCN2A (0.46) AKR1C4AKR1C3AKR1C2CNR1SCN2A
SCHEMBL1495422 0.80 WDR5 (0.48) AKR1C4AKR1C3AKR1C2P2RX3P2RX2
SCHEMBL1495354 0.79 AKR1C3 (0.45) AKR1C4AKR1C3AKR1C2P2RX3P2RX2

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 AKR1C4 1109/4885AKR1C3 973/4885AKR1C2 1626/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B AKR1C4 1109/4885AKR1C3 973/4885AKR1C2 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.