SCHEMBL5348039

SCHEMBL5348039

Nc1ccc(Sc2ccc3[nH]c(NC(=O)O)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP1A2 P05177 3/20 0.51
NR1I2 O75469 1/20 0.51
MAPK14 Q16539 1/20 0.51
CYP3A4 P08684 1/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 3/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
GCK P35557 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL6235584 0.90 LMNA (0.62) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL5200654 0.88 LMNA (0.52) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL14375419 0.86 LMNA (0.66) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL25367964 0.85 LMNA (0.48) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL25367915 0.84 LMNA (0.47) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL25368425 0.81 CYP1A2 (0.46) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL26113879 0.81 CHEK2 (0.47) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL26115255 0.80 LMNA (0.47) LMNAMEN1KMT2ACYP1A2NR1I2
SCHEMBL5342617 0.80 KDR (0.47) LMNAMEN1KMT2ACYP3A4NPC1
SCHEMBL25370002 0.79 MEN1 (0.44) LMNAMEN1KMT2ACYP1A2NR1I2

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-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 LMNA 2801/4885MEN1 760/4885KMT2A 165/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 LMNA 2801/4885MEN1 760/4885KMT2A 165/4885

“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.