SCHEMBL4885142

SCHEMBL4885142

CC1CCN(C(=O)Oc2nsc3ncccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.49
CTSB P07858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LIPE Q05469 1/20 0.39
DTYMK P23919 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4704003 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL4705939 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL4882411 0.82 GAA (0.56) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL1573909 0.77 KMT2A (0.54) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL4886065 0.77 KMT2A (0.54) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL1573876 0.72 GAA (0.56) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL1573600 0.72 RAB9A (0.58) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL4704004 0.70 GRM4 (0.35) DTYMKGRM4
SCHEMBL27720200 0.70 GAA (0.55) ALDH1A1KMT2AMEN1NPSR1CYP1A2
SCHEMBL10040471 0.69 GAA (0.69) ALDH1A1KMT2AMEN1NPSR1CYP1A2

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 ALDH1A1 647/4885KMT2A 2135/4885MEN1 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.