SCHEMBL13072243

SCHEMBL13072243

Cc1cnc(C)n1CC=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM1 P11229 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3466681 0.74 LMNA (0.62) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL14756121 0.73
SCHEMBL24336172 0.72 MAPK1 (0.33) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL28166287 0.71 MAPK1 (0.34) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL29955887 0.70 ALDH1A1 (0.36) ALDH1A1LMNATHRBGAASMN1; SMN2
SCHEMBL6182712 0.68 LMNA (0.36) MAPK1ALDH1A1LMNATHRBTSHR
Bromide SCHEMBL28286963 0.68 ALDH1A1 (0.36) MAPK1ALDH1A1LMNATHRBTSHR
Iodide SCHEMBL28161167 0.68 ALDH1A1 (0.36) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL8050510 0.68 LMNA (0.37) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL9866374 0.67

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MAPK1 1173/4885ALDH1A1 971/4885LMNA 4877/4885

“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.