Sugi Predict

Sugi Predict / Compounds / SCHEMBL2173545

SCHEMBL2173545

SCHEMBL2173545

COc1ccccc1-c1cc(C(=O)NCc2ccc(C)nc2)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.48
▸ P2RX2 Q9UBL9 11/20 0.48
▸ KDM1A O60341 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ WDR5 P61964 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ FLT3 P36888 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ GAS6 Q14393 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL2383190 0.90 P2RX3 (0.46) P2RX3P2RX2WDR5
SCHEMBL2382726 0.90 SMN1; SMN2 (0.47) KDM1AHDAC1WDR5KCNH2KDM4E
SCHEMBL2170998 0.87 P2RX3 (0.49) P2RX3P2RX2WDR5
SCHEMBL2171038 0.87 AKR1C4 (0.54) P2RX3P2RX2KDM1AHDAC1WDR5
SCHEMBL2172216 0.86 P2RX3 (0.53) P2RX3P2RX2WDR5
SCHEMBL2172242 0.85 P2RX3 (0.52) P2RX3P2RX2WDR5
SCHEMBL2170622 0.85 P2RX3 (0.47) P2RX3P2RX2WDR5
SCHEMBL2174791 0.84 P2RX3 (0.50) P2RX3P2RX2WDR5
SCHEMBL2170955 0.84 P2RX3 (0.47) P2RX3P2RX2WDR5
SCHEMBL2174361 0.84 P2RX3 (0.48) P2RX3P2RX2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 — — US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 — — US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 — — US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 — — US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 — — EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 — — 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B P2RX3 207/4885P2RX2 240/4885KDM1A 3369/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885KDM1A 2778/4885

“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.