SCHEMBL29324220

SCHEMBL29324220

Cc1c(C(C)(C)C)ccc2ncsc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.31
TGFBR1 P36897 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
SCHEMBL8306186 0.76 ALDH1A1 (0.35) SLC22A12ALDH1A1HSD17B10P2RX7
SCHEMBL761996 0.76 ALDH1A1 (0.41) ADORA2AADORA1SLC22A12ALDH1A1HSD17B10
SCHEMBL3185104 0.73 DYRK1A (0.35) ADORA2AADORA1ALDH1A1HSD17B10P2RX7
SCHEMBL18876099 0.73 P2RX7 (0.34) ALDH1A1HSD17B10P2RX7
SCHEMBL30002369 0.73 P2RX7 (0.36) ALDH1A1HSD17B10P2RX7TGFBR1
SCHEMBL4075607 0.73 ALDH1A1 (0.33) ALDH1A1HSD17B10P2RX7
SCHEMBL2722669 0.72 ALDH1A1 (0.46) SLC22A12ALDH1A1HSD17B10
SCHEMBL12157070 0.71 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL20043206 0.69 CASR (0.33) ADORA2AADORA1ALDH1A1
SCHEMBL3173531 0.69 CDK1 (0.33) ALDH1A1HSD17B10P2RX7

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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ADORA2A 1308/4885ADORA1 1742/4885SLC22A12 2832/4885

“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.