SCHEMBL7596971

SCHEMBL7596971

Cn1ccc2cccc(NSc3ccc(C(=O)c4ccccc4)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SRD5A2 P31213 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7516093 0.74 MAPK13 (0.47) CMA1ALDH1A1L3MBTL1MAPK13MAPK12
SCHEMBL9667563 0.73 POLB (0.46) CMA1ALDH1A1L3MBTL1RAB9AATM
SCHEMBL31370219 0.64 CMA1 (0.57) CMA1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29167964 0.64 UCHL3 (0.41) CMA1CCR5
SCHEMBL30082300 0.63 NR4A1 (0.46) CMA1ALDH1A1HPGD
SCHEMBL932002 0.63 NR4A1 (0.46) CMA1ALDH1A1HPGD
SCHEMBL3597395 0.63 KEAP1 (0.53) L3MBTL1CCR5HPGD
SCHEMBL2149065 0.62 ALDH1A1 (0.61) ALDH1A1L3MBTL1RAB9ANPC1MAPK13
SCHEMBL23864219 0.62 LMNA (0.59) ALDH1A1L3MBTL1RAB9ANPC1TDP1
SCHEMBL17828242 0.61 ALDH1A1 (0.67) ALDH1A1L3MBTL1RAB9ANPC1MAPK13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-07 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-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha IL1B, IL1A, NFKBIA CMA1 217/4885ALDH1A1 205/4885L3MBTL1 2991/4885

“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.