SCHEMBL16296994

SCHEMBL16296994

C=CCNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 6/20 0.53
LMNA P02545 3/20 0.53
MITF O75030 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
NSD2 O96028 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PKM P14618 2/20 0.51
MAPT P10636 8/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 2/20 0.48

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
SCHEMBL24355115 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL16297128 0.80 LMNA (0.77) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL19625609 0.77 LMNA (0.53) ALDH1A1KMT2ALMNAMITFL3MBTL1
SCHEMBL16296966 0.77 NAT1 (0.59) ALDH1A1KMT2ALMNAMITFL3MBTL1
SCHEMBL16296725 0.75 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL16297166 0.75 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL29059142 0.74 CYP2D6 (0.66) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL19628263 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL16296839 0.73 MAPT (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL16296678 0.73 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF UNIVERSITY OF KANSAS 2022-04-28 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
EP-3007688-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY The General Hospital Corporation (US) 2016-04-20 EP disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 WO disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 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 (3 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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR ALDH1A1 2501/4885KDM4E 1279/4885SMN1; SMN2 4690/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR ALDH1A1 2444/4885KDM4E 1284/4885SMN1; SMN2 4676/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 ALDH1A1 287/4885KDM4E 2473/4885SMN1; SMN2 3743/4885

“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.