SCHEMBL12281147

SCHEMBL12281147

Cc1nc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 1.00
▸ MAPK10 P53779 1/20 1.00
▸ LMNA P02545 5/20 0.63
▸ HTT P42858 4/20 0.63
▸ TSHR P16473 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ ALDH1A2 O94788 1/20 0.60
▸ ALDH1A3 P47895 1/20 0.60
▸ TP53 P04637 10/20 0.58
▸ MAPT P10636 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ THRB P10828 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ POLB P06746 1/20 0.52

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
SCHEMBL18292324 0.79 ALDH1A1 (0.73) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL12281815 0.77 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL30358108 0.75 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL19748997 0.75 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL20228946 0.75 ALDH1A1 (0.64) ALDH1A1MAPK10LMNATSHRSMN1; SMN2
SCHEMBL18292667 0.74 TP53 (0.68) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL19746298 0.68 ALDH1A1 (0.51) ALDH1A1MAPK10LMNAHTTTSHR
SCHEMBL29522912 0.66 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAALDH1A2ALDH1A3
SCHEMBL30358101 0.66 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAALDH1A2ALDH1A3
SCHEMBL17208552 0.66 ALDH1A1 (1.00) ALDH1A1MAPK10LMNAALDH1A2ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 — — US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 — — US disclosed
WO-2011127192-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2011-10-13 — — 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-20130225610-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF ALDH1A1 855/4885MAPK10 204/4885LMNA 3658/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D ALDH1A1 2638/4885MAPK10 650/4885LMNA 879/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF ALDH1A1 855/4885MAPK10 204/4885LMNA 3658/4885

“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.

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