SCHEMBL16109367

SCHEMBL16109367

O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.68
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HSD17B10 Q99714 1/20 0.55
KLK7 P49862 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL21872357 0.81 SLC6A3 (0.47) SLC6A3KDM4EALDH1A1HSD17B10KLK7
SCHEMBL13982744 0.81 SLC6A3 (1.00) SLC6A3
SCHEMBL11267858 0.78 SLC6A3 (0.71) SLC6A3
SCHEMBL16012005 0.78 SLC6A3 (0.60) SLC6A3SMN1; SMN2
SCHEMBL9126255 0.77 L3MBTL1 (0.72) KDM4EALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL2577670 0.77 SLC6A3 (0.65) SLC6A3ALDH1A1TSHR
SCHEMBL12837404 0.77 HSD17B10 (0.59) KDM4EALDH1A1HSD17B10TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2577794 0.76 SLC6A3 (0.62) SLC6A3ALDH1A1TSHR
SCHEMBL16011914 0.76 SLC6A3 (0.67) SLC6A3
SCHEMBL1121660 0.74 SLC6A3 (0.66) SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113038942-A Composition for treating fibrotic diseases containing benzhydrylthioacetamide (Benzhydryl ttoacetamide) compound as active ingredient 细胞离子生物医学株式会社 2021-06-25 CN claimed
US-9259412-B2 Composition of the treatment of vascular diseases or KCa3.1 channel-mediated diseases comprising modafinil or derivatives thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-02-16 US disclosed
US-9259412-B2 Composition of the treatment of vascular diseases or KCa3.1 channel-mediated diseases comprising modafinil or derivatives thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-02-16 US disclosed
US-20140296333-A1 COMPOSITION OF THE TREATMENT OF VASCULAR DISEASES OR KCa3.1 CHANNEL-MEDIATED DISEASES COMPRISING MODAFINIL OR DERIVATIVES THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-10-02 US disclosed
US-20140296333-A1 COMPOSITION OF THE TREATMENT OF VASCULAR DISEASES OR KCa3.1 CHANNEL-MEDIATED DISEASES COMPRISING MODAFINIL OR DERIVATIVES THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-10-02 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-20140296333-A1 COMPOSITION OF THE TREATMENT OF VASCULAR DISEASES OR KCa3.1 CHANNEL-MEDIATED DISEASES COMPRISING MODAFINIL OR DERIVATIVES THEREOF KCNN3, KCNA3, KCNK3 SLC6A3 243/4885KDM4E 1340/4885ALDH1A1 3812/4885

“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.