SCHEMBL14926437

SCHEMBL14926437

Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)no2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.70
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
NR1H4 Q96RI1 4/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
TP53 P04637 3/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP2C19 P33261 1/20 0.57
PKM P14618 1/20 0.57
GPR55 Q9Y2T6 1/20 0.55

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
SCHEMBL2774725 0.90 NR1H4 (0.74) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL14926463 0.86 S1PR1 (0.76) S1PR1
SCHEMBL14926465 0.86 S1PR1 (0.74) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL15905727 0.85 S1PR1 (0.65) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL2803658 0.85 CA9 (0.64) S1PR1
SCHEMBL13873720 0.85 S1PR1 (0.69) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL3743148 0.84 SMN1; SMN2 (0.68) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL3274527 0.84 NPC1 (0.52) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL2771854 0.84 S1PR1 (0.64) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL2775227 0.83 MCL1 (0.61) S1PR1NPC1RAB9ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 S1PR1 1/4885NPC1 601/4885RAB9A 3357/4885

“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.