SCHEMBL6501734

SCHEMBL6501734

CSc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(CO)c3)CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
MAPK1 P28482 5/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KHK P50053 2/20 0.40
TACR3 P29371 1/20 0.40
CYP2D6 P10635 2/20 0.40
CCKAR P32238 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 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
SCHEMBL1384337 0.87 MGLL (0.47) MGLLMAPK1LMNAMEN1KMT2A
SCHEMBL5761581 0.86 MGLL (0.47) MGLLMAPK1LMNAMEN1KMT2A
SCHEMBL1383039 0.86 CHEK2 (0.46) MGLLMAPK1LMNAMEN1HTT
SCHEMBL5758459 0.85 MGLL (0.47) MGLLMAPK1LMNAMEN1KMT2A
SCHEMBL1385029 0.84 SMO (0.46) MGLLMAPK1LMNAMEN1HTT
SCHEMBL1380445 0.83 TAAR1 (0.56) MGLLMAPK1LMNAMEN1HTT
SCHEMBL1381909 0.79 GFER (0.54) MGLLMAPK1LMNAMEN1KMT2A
SCHEMBL1383740 0.74 ALDH1A1 (0.46) MGLLMAPK1LMNAMEN1HTT
SCHEMBL1382383 0.74 ALDH1A1 (0.48) MGLLMAPK1LMNAMEN1HTT
SCHEMBL5751693 0.73 CYP1A2 (0.46) MGLLMAPK1LMNAMEN1HTT

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC MGLL 3492/4885MAPK1 4390/4885LMNA 3596/4885

“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.