SCHEMBL5111876

SCHEMBL5111876

CNCc1ccc(C2=NCCN2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.40
NCF1 P14598 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL12162030 0.82 GPR119 (0.41) MEN1KMT2AMAPTSMN1; SMN2THRB
SCHEMBL5118958 0.80 HTR2C (0.37) MEN1KMT2APOLBTHRBPARP1
SCHEMBL4034393 0.78 NCF1 (0.44) MAPTNCF1KDM4EADRB2CYP3A4
SCHEMBL8936614 0.77 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL5111109 0.77 BDKRB1 (0.37) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL4035735 0.74 NCF1 (0.41) MAPTNCF1KDM4EPARP1PARP2
SCHEMBL5388729 0.70 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL5385670 0.70 HRH3 (0.40) THRB
SCHEMBL5393153 0.70 LTB4R (0.42) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL7944913 0.68 POLB (0.57) MEN1KMT2AMAPTSMN1; SMN2POLB

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-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 MEN1 4618/4885KMT2A 3755/4885MAPT 4123/4885
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB MEN1 3527/4885KMT2A 3854/4885MAPT 1262/4885

“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.