SCHEMBL320736

SCHEMBL320736

COCC(=O)c1ccc(C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.43
VNN1 O95497 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
SCHEMBL31357490 0.82 RAB9A (0.64) RAB9AMAPTALDH1A1NPC1VNN1
SCHEMBL10668250 0.80 GSK3B (0.58) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL28042798 0.80 RAB9A (0.55) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL1146988 0.79 RAB9A (0.71) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL11983785 0.78 GSK3B (0.70) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL3444279 0.77 GSK3B (0.54) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL863102 0.76 ESR2 (0.59) RAB9AMAPTALDH1A1CA1CA2
SCHEMBL319223 0.76 GSK3B (0.68) GSK3BRAB9AMAPTALDH1A1CA1
SCHEMBL7290567 0.76 CA1 (0.54) RAB9AMAPTALDH1A1CA1CA2
SCHEMBL2064455 0.76 NPC1 (0.58) GSK3BRAB9AMAPTALDH1A1TDP1

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
WO-2023073090-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2023-05-04 WO disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
CN-103097365-A 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO SA 2013-05-08 CN disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
EP-0166609-A2 Aryl derivatives of heterobicyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-01-02 EP 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 GSK3B 614/4885RAB9A 3357/4885MAPT 2446/4885

“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.