SCHEMBL29968809

SCHEMBL29968809

COC(=O)C1CC(F)(c2ccc(OC)nc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
NNMT P40261 1/20 0.40
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PABPC1 P11940 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACACB O00763 1/20 0.35
POLB P06746 2/20 0.35
BACE1 P56817 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL21513709 1.00 P2RX7 (0.43) P2RX7NNMTKMT2AMEN1KDM4E
SCHEMBL29969530 0.85 NNMT (0.41) P2RX7NNMTKMT2AMEN1KDM4E
SCHEMBL21512768 0.85 NNMT (0.41) P2RX7NNMTKMT2AMEN1KDM4E
SCHEMBL21513713 0.80 ITGA4 (0.37) ACACBBACE1
SCHEMBL29968891 0.80 ITGA4 (0.37) ACACBBACE1
SCHEMBL21513200 0.77 SLC6A2 (0.43) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL21513712 0.76 LATS1 (0.38) KMT2AKDM4EALDH1A1
SCHEMBL29969129 0.73 OPRM1 (0.40) NNMTMAPT
SCHEMBL21513711 0.73 OPRM1 (0.40) NNMTMAPT
SCHEMBL21513693 0.70 NNMT (0.43) NNMTKMT2AMEN1KDM4EMAPT

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 P2RX7 4744/4885NNMT 1967/4885KMT2A 918/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 P2RX7 4744/4885NNMT 1967/4885KMT2A 918/4885

“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.