SCHEMBL4094379

SCHEMBL4094379

CC(C)S(=O)(=O)Nc1ccc(Cl)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
BRPF1 P55201 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BRD4 O60885 1/20 0.42
KDM1A O60341 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL12650084 0.84 CDK1 (0.50) MAPTMEN1KMT2APKMBRPF1
SCHEMBL9119300 0.81 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL25043309 0.78 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL21916046 0.77 MAPT (0.50) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL12846480 0.77 HSD17B3 (0.54) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL22060019 0.77 EPHX2 (0.46) ALDH1A1BRPF1EPHX2NR1H4BRD4
SCHEMBL20290535 0.77 TSHR (0.51) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL13602325 0.76 EPHX2 (0.46) ALDH1A1MAPTLMNABRPF1EPHX2
SCHEMBL1127809 0.75 BRPF1 (0.43) ALDH1A1BRPF1EPHX2NR1H4BRD4
SCHEMBL2449973 0.74 KEAP1 (0.48) ALDH1A1MAPTMEN1KMT2APKM

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 ALDH1A1 4089/4885MAPT 1880/4885NPSR1 4513/4885

“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.