SCHEMBL24733658

SCHEMBL24733658

O=C1NCCCc2cc(Cl)sc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
TSHR P16473 1/20 0.37
PARP10 Q53GL7 2/20 0.37
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PRKD1 Q15139 3/20 0.34
CHEK1 O14757 1/20 0.34
OR51E2 Q9H255 1/20 0.33
ATM Q13315 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
AR P10275 1/20 0.31
PARP11 Q9NR21 1/20 0.31
CDC7 O00311 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL23142246 0.79 CDK1 (0.42) CDK1MAPKAPK2TSHRPARP10PARP1
SCHEMBL23177730 0.79 CDK1 (0.39) CDK1MAPKAPK2TSHRPARP10PARP1
SCHEMBL8918437 0.76 ALDH1A1 (0.35) CDK1MAPKAPK2TSHRALDH1A1PRKD1
SCHEMBL8915748 0.74 GSK3B (0.43) CDK1MAPKAPK2TSHRALDH1A1KDM4E
SCHEMBL9275582 0.74 MAOA (0.39) ALDH1A1GRM5MAPT
SCHEMBL23142164 0.72 CDC7 (0.44) CDK1MAPKAPK2TSHRPARP10F7
SCHEMBL8916133 0.70 NOTUM (0.33) CDK1MAPKAPK2TSHRALDH1A1PRKD1
SCHEMBL13145541 0.70 CASP1 (0.35)
SCHEMBL390545 0.68 PARP10 (0.46) PARP10F7PARP1F3CHEK1
SCHEMBL13361329 0.68 PARP10 (0.46) CDK1MAPKAPK2TSHRPARP10F7

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-11413278-B2 Compounds and methods for promoting stress resistance THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-16 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-11413278-B2 Compounds and methods for promoting stress resistance HSPA9, ATF4, GPX4 CDK1 3046/4885MAPKAPK2 1131/4885TSHR 4623/4885

“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.