SCHEMBL17080102

SCHEMBL17080102

CCOC(=O)c1sc2ncnc(N3CCCCC3)c2c1C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
MAPT P10636 6/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
KDM4E B2RXH2 5/20 0.80
RXFP1 Q9HBX9 2/20 0.80
TSHR P16473 1/20 0.80
NPSR1 Q6W5P4 1/20 0.72
HSD17B10 Q99714 1/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
DRD4 P21917 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 3/20 0.51
PTK2B Q14289 1/20 0.51
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL13165037 0.85 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL20275888 0.82 MEN1 (0.73) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL13165047 0.81 MAPT (0.76) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL20399311 0.76 HSD17B10 (0.70) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL2368890 0.76 HSD17B10 (0.70) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL13640914 0.76 LMNA (1.00) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL23630827 0.75 HSD17B10 (1.00) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL24455174 0.73 LMNA (0.68) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1
SCHEMBL13164906 0.73 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL22164391 0.72 HSD17B10 (0.57) ALDH1A1MAPTSMN1; SMN2KDM4ERXFP1

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
WO-2015136557-A9 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2022-05-27 WO disclosed
WO-2015136557-A9 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2022-05-27 WO disclosed
US-20180169100-A1 Cancer Stem Cell Targeting Compounds GODAVARI BIOREFINERIES LIMITED (IN) 2018-06-21 US disclosed
US-20180169100-A1 Cancer Stem Cell Targeting Compounds GODAVARI BIOREFINERIES LIMITED (IN) 2018-06-21 US disclosed
US-20180169100-A1 Cancer Stem Cell Targeting Compounds GODAVARI BIOREFINERIES LIMITED (IN) 2018-06-21 US disclosed
EP-3116867-A2 CANCER STEM CELL TARGETING COMPOUNDS Godavari Biorefineries Ltd. (IN) 2017-01-18 EP disclosed
WO-2015136557-A2 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2015-09-17 WO disclosed
WO-2015136557-A2 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2015-09-17 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 (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-20180169100-A1 Cancer Stem Cell Targeting Compounds MCL1, MKI67, BAX ALDH1A1 40/4885MAPT 4707/4885SMN1; SMN2 3201/4885

“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.