SCHEMBL3142285

SCHEMBL3142285

Nc1ncccc1-c1c[c]ccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
NAPRT Q6XQN6 1/20 0.34
AKT1 P31749 5/20 0.33
AKT2 P31751 3/20 0.33
TGFBR1 P36897 1/20 0.33
S100A4 P26447 2/20 0.32
RPS6KA5 O75582 1/20 0.31
TDP2 O95551 2/20 0.31
NSD2 O96028 2/20 0.31
PAX8 Q06710 2/20 0.31
AKT3 Q9Y243 2/20 0.31
TGM2 P21980 1/20 0.31
PADI1 Q9ULC6 1/20 0.31

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
SCHEMBL7389395 0.80 MKNK1 (0.36) MAP4K4MKNK1MKNK2
SCHEMBL3845483 0.79 MAP4K4 (0.55) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL27890422 0.79 NPC1 (0.36) S100A4MEN1KMT2ATDP1
SCHEMBL1450105 0.79 MKNK1 (0.45) MAP4K4MKNK1MKNK2ABL1
SCHEMBL28599020 0.77 PTGS2 (0.49) S100A4TDP2NSD2PAX8ABL1
SCHEMBL1148699 0.77 MAP4K4 (0.66) MAP4K4MKNK1MKNK2NOS3NOS1
SCHEMBL18422063 0.76 PRMT5 (0.39) MAP4K4PLCG1
SCHEMBL15511325 0.76 CCR1 (0.48) MEN1BLMKMT2ATDP1GAA
SCHEMBL7449091 0.76 MKNK1 (0.33) MAP4K4MKNK1MKNK2
SCHEMBL3430365 0.75 ALDH1A3 (0.44) MAP4K4TGFBR1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US claimed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US claimed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP claimed

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-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MAP4K4 2395/4885MKNK1 2171/4885MKNK2 1520/4885

“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.