SCHEMBL21883260

SCHEMBL21883260

N#CSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
AHR P35869 3/20 0.39
TP53 P04637 1/20 0.39
FBP1 P09467 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA2 P47869 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GFER P55789 1/20 0.36
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7979164 0.81 ALDH1A1 (0.56) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL2705285 0.81 TSHR (0.45) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL12812545 0.81 TRPV4 (0.52) ALDH1A1MAPTPOLBCYP3A4HPGD
SCHEMBL25745990 0.77 NOTUM (0.43)
SCHEMBL13002492 0.75 TSHR (0.52) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL4408306 0.74 ALDH1A1 (0.64) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL11085809 0.74 KMT2A (0.45) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL6245448 0.73 MAPT (0.52) ALDH1A1MAPTPOLBHAO1CA2
SCHEMBL12812577 0.73 ALDH1A1 (0.34) ALDH1A1MAPTPOLBCA2CA5A
SCHEMBL134187 0.73 ALDH1A1 (0.47) ALDH1A1MAPTPOLBCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216341-A1 COMPOSITION FOR PREVENTING OR TREATING CHRONIC KIDNEY DISEASE, COMPRISING COMPOUND THAT INDUCES EXPRESSION OF ANTI-AGING GENE KLOTHO KLOTHO SCIENCES (KR) 2024-07-04 US disclosed
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 US disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 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 (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-20240216341-A1 COMPOSITION FOR PREVENTING OR TREATING CHRONIC KIDNEY DISEASE, COMPRISING COMPOUND THAT INDUCES EXPRESSION OF ANTI-AGING GENE KLOTHO GLA, CTSA, FGF23 ALDH1A1 336/4885MAPT 4362/4885POLB 2723/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 ALDH1A1 2965/4885MAPT 2375/4885POLB 3002/4885

“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.