SCHEMBL4884039

SCHEMBL4884039

Cc1ccccc1CNC(=O)Nc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL4882428 0.78 MGLL (0.47) ALDH1A1SMN1; SMN2HTT
SCHEMBL30999993 0.77 DYRK1A (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL7859384 0.76 CXCR1 (0.59) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL30999992 0.75 CDK2 (0.66) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL31000020 0.74 CDK2 (0.45) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8363843 0.71 MAPT (0.42) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL17234004 0.70 RAB9A (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL17234181 0.69 MAPT (0.58) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2964310 0.68 KDM4E (0.47) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL4040996 0.67 SMN1; SMN2 (0.46) MAPTMEN1KMT2AALDH1A1RAB9A

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 TP53 4127/4885MAPT 4606/4885MEN1 4408/4885

“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.