SCHEMBL3435562

SCHEMBL3435562

CN(C)c1ccc(-c2nc(C(=O)O)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
TLR7 Q9NYK1 1/20 0.61
HPGDS O60760 1/20 0.51
CHEK1 O14757 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 2/20 0.48
PLA2G10 O15496 1/20 0.48
ACHE P22303 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29370831 0.84 HDAC6 (0.69) ALDH1A1TLR7HPGDSCHEK1RAB9A
SCHEMBL2552121 0.82 TLR7 (0.66) ALDH1A1TLR7HPGDSCHEK1RAB9A
SCHEMBL3098211 0.82 ALDH1A1 (1.00) ALDH1A1TLR7HPGDSRAB9ANPC1
Hydrochloric Acid SCHEMBL6822031 0.81 ALDH1A1 (0.97) ALDH1A1TLR7HPGDSRAB9ANPC1
SCHEMBL26319518 0.80 ALDH1A1 (0.73) ALDH1A1TLR7HPGDSRAB9ANPC1
SCHEMBL1785557 0.80 ALDH1A1 (0.73) ALDH1A1TLR7HPGDSRAB9ANPC1
SCHEMBL2104811 0.80 ALDH1A1 (0.73) ALDH1A1HPGDSRAB9ANPC1KDM4E
SCHEMBL352152 0.80 HPGDS (0.73) ALDH1A1TLR7HPGDSRAB9ANPC1
SCHEMBL14301138 0.79 ALDH1A1 (0.71) ALDH1A1TLR7HPGDSRAB9ANPC1
SCHEMBL24136179 0.79 ALDH1A1 (0.71) ALDH1A1HPGDSRAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885TLR7 1129/4885HPGDS 2971/4885

“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.