SCHEMBL418190

SCHEMBL418190

O=C(Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cscn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
IRAK4 Q9NWZ3 11/20 0.52
ALDH1A1 P00352 3/20 0.52
METAP1 P53582 1/20 0.47
MCL1 Q07820 1/20 0.44
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1201198 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL418792 0.79 NPC1 (0.60) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL5743889 0.78 SMN1; SMN2 (0.74) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL29500516 0.78 LMNA (0.57) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL18537879 0.78 LMNA (0.57) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL421032 0.77 SCD (0.58) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL25956596 0.77 IRAK4 (0.83) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL17488032 0.76 RAB9A (0.67) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL4090435 0.76 IRAK4 (0.50) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL19446745 0.76 GRM1 (0.43) SMN1; SMN2NPC1RAB9AMAPT

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-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB SMN1; SMN2 3959/4885NPC1 2626/4885KMT2A 645/4885

“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.