SCHEMBL5532430

SCHEMBL5532430

CNc1nc2c(C)cc(OC)c(C)c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
CHRM4 P08173 3/20 0.36
DUSP3 P51452 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ALOX5 P09917 1/20 0.35
TBXAS1 P24557 1/20 0.35
LTB4R Q15722 1/20 0.35
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 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
SCHEMBL5532426 0.79 HTT (0.61) TSHRHSD17B10SMN1; SMN2KDM4EMAPT
SCHEMBL4502691 0.74 TBXAS1 (0.43) HPGDHSD17B10LMNASMN1; SMN2KDM4E
SCHEMBL14602473 0.70 AHR (0.54) HPGDTSHRHSD17B10LMNASMN1; SMN2
SCHEMBL11450570 0.69 MAPT (0.74) HPGDTSHRHSD17B10LMNASMN1; SMN2
SCHEMBL18905968 0.68 TAAR1 (0.33) LMNAMAPT
SCHEMBL25647666 0.68 TAAR1 (0.33) TSHRLMNAMAPTGAAMKNK1
SCHEMBL23137514 0.68 ALDH1A1 (0.48) HPGDTSHRHSD17B10LMNASMN1; SMN2
SCHEMBL4507612 0.66 KMT2A (0.38) HPGDHSD17B10SMN1; SMN2KDM4EMAPT
SCHEMBL19202342 0.66 KMT2A (0.48) HPGDLMNASMN1; SMN2KDM4EMAPT
SCHEMBL24917556 0.65 AHR (0.42) HPGDTSHRHSD17B10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US claimed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO claimed
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US disclosed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP disclosed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US disclosed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 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 (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-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION HTT, ATXN2, ATXN2L HPGD 3719/4885TSHR 2566/4885HSD17B10 3601/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L HPGD 3719/4885TSHR 2566/4885HSD17B10 3601/4885

“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.