SCHEMBL4882428

SCHEMBL4882428

CCCCCCNC(=O)Nc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
TBXA2R P21731 10/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.42
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL30999993 0.78 DYRK1A (0.51) POLBSMN1; SMN2ALDH1A1HTT
SCHEMBL31000020 0.78 CDK2 (0.45) POLBHPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL4884039 0.78 TP53 (0.45) SMN1; SMN2ALDH1A1HTT
SCHEMBL9770215 0.75 ALDH1A1 (0.65) MGLLPOLBSMN1; SMN2EPHX1ALDH1A1
SCHEMBL9170568 0.73 EPHX1 (0.67) POLBSMN1; SMN2EPHX1ALDH1A1HTT
SCHEMBL8363843 0.73 MAPT (0.42) POLBSMN1; SMN2ALDH1A1HTT
SCHEMBL30999992 0.72 CDK2 (0.66) HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL13202968 0.70 KAT2B (0.40) POLBHPGDSMN1; SMN2RIPK1ALDH1A1
SCHEMBL17234004 0.69 RAB9A (0.41) SMN1; SMN2ALDH1A1HTT
SCHEMBL11859468 0.69 SMN1; SMN2 (0.58) MGLLPOLBHPGDSMN1; SMN2ALDH1A1

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-8921404-B2 Azole derivatives in the form of lipase and phospholipase inhibitors SANOFI (FR) 2014-12-30 US disclosed
US-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example SANOFI-AVENTIS (FR) 2008-04-17 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-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example FABP4, GPR119, LIPE MGLL 30/4885TBXA2R 779/4885SLC6A2 3750/4885

“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.