SCHEMBL1319399

SCHEMBL1319399

Nc1ccc2cc(C(=O)NCc3ccccc3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.68
PLAU P00749 1/20 0.65
HDAC2 Q92769 4/20 0.62
HDAC1 Q13547 4/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC3 O15379 2/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
HPGD P15428 3/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA2 P00918 1/20 0.54
RAB9A P51151 2/20 0.53

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
SCHEMBL11902028 0.91 NR1H4 (0.79) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL14894197 0.88 NR1H4 (0.85) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL4569169 0.86 HDAC1 (0.75) NR1H4HDAC2HDAC1HDAC8HDAC6
SCHEMBL3034687 0.85 HDAC6 (0.83) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL6737728 0.84 HDAC6 (0.72) NR1H4HDAC2HDAC1HDAC8HDAC6
SCHEMBL8395188 0.83 HDAC6 (0.69) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL7322242 0.81 NR1H4 (1.00) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL3033469 0.81 HDAC6 (0.81) NR1H4PLAUHDAC2HDAC1HDAC8
SCHEMBL9999560 0.80 HDAC6 (0.60) PLAUHDAC2HDAC1HDAC8HDAC6
SCHEMBL14885209 0.79 NR1H4 (0.76) NR1H4PLAUHDAC2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 NR1H4 435/4885PLAU 1944/4885HDAC2 3017/4885

“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.