SCHEMBL21628544

SCHEMBL21628544

CN(C)C(=O)c1ccc(Oc2ccc(C3CCCCC3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 8/20 0.45
MAPT P10636 1/20 0.42
DEGS1 O15121 1/20 0.40
STAT3 P40763 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 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
SCHEMBL21628721 1.00 HAO1 (0.47) HAO1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL21628874 0.99 POLB (0.47) HAO1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL21628652 0.96 HRH3 (0.48) HAO1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL21628747 0.94 SMN1; SMN2 (0.49) POLBSMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL19362956 0.85 HAO1 (0.51) HAO1POLBSMN1; SMN2ALDH1A1HRH3
SCHEMBL21656971 0.85 HAO1 (0.51) HAO1POLBSMN1; SMN2ALDH1A1HRH3
SCHEMBL21628651 0.85 ALDH1A1 (0.65) HAO1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL21628738 0.85 ALDH1A1 (0.65) HAO1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL21628532 0.84 OPRM1 (0.54) HAO1HRH3OPRM1OPRK1KCNH2
SCHEMBL21656680 0.84 HAO1 (0.49) HAO1POLBSMN1; SMN2HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 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-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HAO1 1541/4885POLB 3699/4885SMN1; SMN2 796/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HAO1 1541/4885POLB 3699/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HAO1 1346/4885POLB 2979/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HAO1 1541/4885POLB 3699/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HAO1 852/4885POLB 814/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HAO1 1541/4885POLB 3699/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HAO1 1541/4885POLB 3699/4885SMN1; SMN2 796/4885

“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.