SCHEMBL1495557

SCHEMBL1495557

COC(=O)c1cc(Oc2ncccn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
CNR2 P34972 1/20 0.40
USP2 O75604 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 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
SCHEMBL1495579 0.87 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1495755 0.86 P2RY14 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1495537 0.81 P2RX3 (0.48) RAB9ANPC1SMN1; SMN2KMT2ATDP1
SCHEMBL1495498 0.79 TDP1 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5311414 0.78 CA12 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12757638 0.78 AKR1C3 (0.47) RAB9ANPC1SMN1; SMN2HTT
SCHEMBL12757641 0.77 P2RX3 (0.58)
SCHEMBL6798334 0.76 MEN1 (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1495774 0.76 MAPT (0.49) RAB9ANPC1TDP1ALDH1A1KDM4E
SCHEMBL13415725 0.76 CNR2 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016907-B Amide compound, compositions and application thereof EVOTEC GMBH (DE) 2016-11-30 CN disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP disclosed
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-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-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN disclosed
CN-104016907-A Amide compounds, compositions and uses thereof RENOVIS INC 2014-09-03 CN 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
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B RAB9A 1588/4885NPC1 2900/4885SMN1; SMN2 1667/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B RAB9A 1588/4885NPC1 2900/4885SMN1; SMN2 1667/4885

“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.