SCHEMBL1995385

SCHEMBL1995385

N=C(NO)c1cccc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.51
AXL P30530 2/20 0.51
IDO1 P14902 2/20 0.45
METAP2 P50579 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
METTL3 Q86U44 5/20 0.41
KIT P10721 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT5 O14744 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
SCHEMBL23481936 0.79 IDO1 (0.51) NOS1AXLIDO1METAP2JAK2
SCHEMBL7379757 0.76 NOS1 (0.50) NOS1AXLIDO1METAP2JAK2
SCHEMBL543898 0.75 METTL3 (0.50) NOS1AXLIDO1JAK2JAK1
SCHEMBL31719176 0.75 METTL3 (0.50) NOS1AXLIDO1JAK2JAK1
SCHEMBL16897064 0.75 PIK3CD (0.41) JAK2LMNACYP1A2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL30715238 0.74 METTL3 (0.52) NOS1AXLIDO1JAK2JAK1
SCHEMBL260364 0.74 NOS1 (0.52) NOS1AXLIDO1METAP2JAK2
SCHEMBL30285533 0.74 NOS1 (0.52) NOS1AXLIDO1METAP2JAK2
SCHEMBL10223029 0.72 IDO1 (0.51) NOS1AXLIDO1METAP2JAK2
Hydrochloric Acid SCHEMBL1056437 0.72 NOS1 (0.50) NOS1AXLIDO1METAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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 (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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 NOS1 1959/4885AXL 2300/4885IDO1 851/4885

“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.