SCHEMBL19251498

SCHEMBL19251498

CCC(C)(C)c1cnc2ccoc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
LMNA P02545 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL22752546 0.89 LMNA (0.30) LMNA
SCHEMBL24655975 0.89 IRAK4 (0.32) LMNAIRAK4
SCHEMBL10555010 0.85 LMNA (0.31) LMNA
SCHEMBL12458419 0.84 IRAK4 (0.32) IRAK4
SCHEMBL19252703 0.83
SCHEMBL19251267 0.81
SCHEMBL22752541 0.79 CNR2 (0.32) IRAK4
SCHEMBL20066542 0.77 LMNA (0.43) PTPN1LMNANPC1RAB9AMAPK1
SCHEMBL2633082 0.75 CYP1A2 (0.50) LMNANPC1RAB9AMAPK1CASP3
SCHEMBL24655016 0.74 CHRNB2 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B PTPN1 3736/4885LMNA 627/4885NPC1 1885/4885

“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.