SCHEMBL23326952

SCHEMBL23326952

CCOC(=O)c1cc2c(Br)ccnc2n1COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
ELANE P08246 4/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
PIK3CA P42336 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL16497243 0.87 KMT2A (0.43) NPC1MAPTTP53IDO1ALDH1A1
SCHEMBL20437123 0.81 NPC1 (0.37) NPC1MAPTHTT
SCHEMBL2200166 0.80 NPC1 (0.37) NPC1MAPTTP53IDO1ALDH1A1
SCHEMBL20839775 0.78 NPC1 (0.38) NPC1MAPT
SCHEMBL30442857 0.78 NPC1 (0.36) NPC1MAPT
SCHEMBL2241065 0.78 NPC1 (0.36) NPC1MAPT
SCHEMBL15746127 0.78 MAPT (0.41) NPC1MAPTTP53ELANEALDH1A1
SCHEMBL22460768 0.77 KMT2A (0.36) NPC1MAPTTP53IDO1ALDH1A1
SCHEMBL30903016 0.77 KMT2A (0.36) NPC1MAPTTP53IDO1ALDH1A1
SCHEMBL30226555 0.77 MAPT (0.40) NPC1MAPTTP53ALDH1A1KMT2A

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 NPC1 383/4885MAPT 1850/4885TP53 662/4885

“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.