SCHEMBL25536686

SCHEMBL25536686

Cc1cc(CS)ccc1CN(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
PYCR1 P32322 2/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL25530593 0.77 CYP2C19 (0.53) PYCR1CYP1A2CYP2C19
SCHEMBL26422497 0.77 LTA4H (0.33) PYCR1CYP1A2CYP2C19LTA4H
SCHEMBL14438273 0.71 MAPT (0.43)
SCHEMBL19565946 0.69 S1PR1 (0.46) PYCR1LTA4H
SCHEMBL5351507 0.67 IDO1 (0.52) IDO1CYP1A2CYP2C19
SCHEMBL22763805 0.66 ALDH1A1 (0.39) CYP1A2CYP2C19
SCHEMBL13551804 0.66 PYCR1 (0.47) IDO1PYCR1CYP1A2CYP2C19LTA4H
SCHEMBL16313540 0.63 PYCR1 (0.47) PYCR1
SCHEMBL13430049 0.62 IDO1 (0.46) IDO1CYP1A2CYP2C19
SCHEMBL5073332 0.62 ESR1 (0.68) IDO1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 IDO1 1403/4885PYCR1 2907/4885CYP1A2 3539/4885

“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.