SCHEMBL20921237

SCHEMBL20921237

COc1ncc2cc(C(C)C)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.38
SCN4A P35499 1/20 0.38
RAB9A P51151 1/20 0.38
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
PSMB5 P28074 1/20 0.36
EGFR P00533 1/20 0.36
FTO Q9C0B1 3/20 0.35
HASPIN Q8TF76 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TYR P14679 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
BRAF P15056 1/20 0.34
CYP1A2 P05177 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL16891451 0.77 CYP1A2 (0.46) ALDH1A1QPCTQPCTLPSMB5EGFR
SCHEMBL888951 0.77 NPC1 (0.41) SMN1; SMN2ALDH1A1NPC1SCN4ARAB9A
SCHEMBL799309 0.77 PSMB5 (0.41) SMN1; SMN2ALDH1A1NPC1SCN4ARAB9A
SCHEMBL16881152 0.76 PRNP (0.49) SMN1; SMN2ALDH1A1QPCTQPCTLEGFR
SCHEMBL27998998 0.76 NPC1 (0.40) SMN1; SMN2ALDH1A1NPC1SCN4ARAB9A
SCHEMBL26128691 0.76 FTO (0.57) QPCTQPCTLEGFRFTOHASPIN
SCHEMBL2625324 0.76 LCK (0.49) SMN1; SMN2ALDH1A1NPC1SCN4ARAB9A
Hydrochloric Acid SCHEMBL28105750 0.75 PRNP (0.48) SMN1; SMN2ALDH1A1QPCTQPCTLPSMB5
SCHEMBL25097413 0.73 BRAF (0.43) SMN1; SMN2NPC1SCN4ARAB9APSMB5
SCHEMBL20047504 0.73 NPC1 (0.38) SMN1; SMN2ALDH1A1NPC1SCN4ARAB9A

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-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 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-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 SMN1; SMN2 4577/4885ALDH1A1 1717/4885NPC1 959/4885

“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.