SCHEMBL5146269

SCHEMBL5146269

O=C(O)c1nnsc1Nc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.77
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 4/20 0.44
GAA P10253 1/20 0.43
RHOA P61586 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
S1PR4 O95977 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL5147602 0.87 ILK (1.00) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL22609262 0.85 ILK (0.57) ILKALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL22609331 0.85 ILK (0.57) ILKALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5146319 0.84 ILK (0.73) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL5147724 0.84 ILK (0.68) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL22609326 0.84 ILK (0.56) ILKALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5147757 0.82 ILK (0.65) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL5147557 0.81 ILK (0.74) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL5146303 0.79 ILK (1.00) ILKALDH1A1HSD17B10LMNAMAPT
SCHEMBL22609345 0.79 ILK (0.51) ILKALDH1A1LMNAMAPTMEN1

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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 US disclosed
US-7288556-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2007-10-30 US disclosed
US-7288556-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2007-10-30 US disclosed
US-7288556-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2007-10-30 US disclosed
US-7022702-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-04-04 US disclosed
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-01-12 US disclosed
US-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds DERMIRA (CANADA), INC. 2003-05-22 US disclosed
US-6420400-B1 ANTITUMOR, ANGIOGENESIS INHIBITOR, CONTROLLING CELL PROLIFERATION KINETEK PHARMACEUTICALS, INC. (CA) 2002-07-16 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 (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-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND1, CCND3 ILK 1286/4885ALDH1A1 1001/4885HSD17B10 1661/4885
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND3, ACIN1 ILK 2862/4885ALDH1A1 715/4885HSD17B10 1816/4885
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS ILK 3208/4885ALDH1A1 149/4885HSD17B10 552/4885

“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.