SCHEMBL17485804

SCHEMBL17485804

CN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
HTT P42858 4/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
NPC1 O15118 3/20 1.00
LMNA P02545 2/20 1.00
STAT1 P42224 1/20 1.00
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
KDM4E B2RXH2 5/20 0.70
CDK8 P49336 1/20 0.70
CDK19 Q9BWU1 1/20 0.70
HPGD P15428 2/20 0.67
ALOX15 P16050 2/20 0.67
TSHR P16473 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
NCOA1 Q15788 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
CHRM4 P08173 7/20 0.54

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
SCHEMBL6100788 0.85 ALDH1A1 (0.80) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL426655 0.83 CDK8 (1.00) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL12562445 0.83 ALDH1A1 (0.80) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL16071457 0.82 ALDH1A1 (0.72) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL429541 0.80 ALDH1A1 (1.00) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL8242756 0.80 ALDH1A1 (0.74) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL8242540 0.80 ALDH1A1 (0.74) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL8238314 0.74 ALDH1A1 (0.65) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL4658096 0.74 CDK8 (0.68) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL14110701 0.74 ALDH1A1 (0.62) ALDH1A1HTTRAB9ASMN1; SMN2NPC1

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
US-9707210-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2017-07-18 US disclosed
US-20160030390-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Ed ucation on behalf of the University of Nevada Ren (US) 2016-02-04 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-20160030390-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 ALDH1A1 342/4885HTT 4298/4885RAB9A 1131/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA ALDH1A1 98/4885HTT 687/4885RAB9A 4056/4885

“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.