SCHEMBL21628601

SCHEMBL21628601

NC(=O)c1cnc(Oc2ccc(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.37
EGFR P00533 2/20 0.37
FEN1 P39748 2/20 0.37
CHEK2 O96017 1/20 0.35
PARP10 Q53GL7 5/20 0.34
HPGDS O60760 1/20 0.34
HIF1A Q16665 1/20 0.34
ALOX5AP P20292 1/20 0.34
LTA4H P09960 2/20 0.33
PARP14 Q460N5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
KCNH2 Q12809 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
SCHEMBL21628598 1.00 BTK (0.37) BTKEGFRFEN1CHEK2PARP10
SCHEMBL21628445 0.90 PTGER4 (0.36) FEN1ALOX5APLTA4HKCNH2
SCHEMBL21628446 0.90 PTGER4 (0.36) FEN1ALOX5APLTA4HKCNH2
SCHEMBL21628917 0.87 HIF1A (0.36) FEN1HIF1AALOX5APALDH1A1KMT2A
SCHEMBL21657043 0.87 HDAC6 (0.40)
SCHEMBL21628918 0.87 HIF1A (0.36) FEN1HIF1AALOX5APALDH1A1KMT2A
SCHEMBL21656654 0.86 HPGDS (0.38) HPGDS
SCHEMBL21657051 0.86 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21628494 0.84 MAOB (0.37) ALDH1A1
SCHEMBL25083089 0.84 SLC6A3 (0.42) BTKEGFRPARP10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (4 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK BTK 332/4885EGFR 2825/4885FEN1 4361/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK BTK 332/4885EGFR 2417/4885FEN1 4128/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK BTK 332/4885EGFR 2825/4885FEN1 4361/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK BTK 332/4885EGFR 2825/4885FEN1 4361/4885

“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.