SCHEMBL21176222

SCHEMBL21176222

O=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 3/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
P2RX3 P56373 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21176291 0.92 ALDH1A1 (0.53) ALDH1A1POLBKMT2AP2RX7GAA
SCHEMBL21176318 0.82 POLB (0.57) ALDH1A1POLBKMT2AP2RX7GAA
SCHEMBL21176163 0.82 KMT2A (0.54) ALDH1A1KMT2AP2RX7GAAMAPT
SCHEMBL21176237 0.82 P2RX7 (0.52) ALDH1A1KMT2AP2RX7GAATDP1
SCHEMBL19975410 0.82 P2RX7 (0.52) ALDH1A1KMT2AP2RX7GAATDP1
SCHEMBL21176371 0.82 P2RX7 (0.52) ALDH1A1KMT2AP2RX7GAATDP1
SCHEMBL21176164 0.81 ALDH1A1 (0.55) ALDH1A1POLBKMT2AP2RX7GAA
SCHEMBL21176380 0.80 KMT2A (0.47) ALDH1A1POLBKMT2AP2RX7GAA
SCHEMBL21176332 0.79 KMT2A (0.53) ALDH1A1KMT2AP2RX7GAALMNA
SCHEMBL21176270 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AP2RX7GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885POLB 833/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885POLB 617/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885POLB 833/4885KMT2A 4031/4885

“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.