SCHEMBL22430396

SCHEMBL22430396

CC(C)(CCCN)c1cccc2scnc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKLR P30613 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
KIF11 P52732 2/20 0.30
NAMPT P43490 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL22430427 0.77 ALDH1A1 (0.32) ALDH1A1HSD17B10KIF11CYP3A4CYP2D6
SCHEMBL761991 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10PKLRTRPV1KIF11
SCHEMBL15465950 0.73 ALDH1A1 (0.41) ALDH1A1HSD17B10PKLRTRPV1
SCHEMBL475888 0.67 KIF11 (0.42) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3224144 0.66 ALDH1A1 (0.41) ALDH1A1HSD17B10NAMPT
SCHEMBL5802691 0.66 KCNA5 (0.34) ALDH1A1HSD17B10PKLRTRPV1
SCHEMBL19326981 0.66 ALDH1A1 (0.37) ALDH1A1HSD17B10PKLRTRPV1NAMPT
Hydrazine SCHEMBL5242106 0.64 ALDH1A1 (0.47) ALDH1A1HSD17B10
Hydrazine SCHEMBL27575629 0.64 SMN1; SMN2 (0.47) ALDH1A1HSD17B10PKLR
SCHEMBL288904 0.63 ALDH1A1 (0.46) ALDH1A1HSD17B10TRPV1NAMPT

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-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 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 (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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC ALDH1A1 896/4885HSD17B10 798/4885PKLR 2902/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC ALDH1A1 896/4885HSD17B10 798/4885PKLR 2902/4885

“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.