SCHEMBL21628894

SCHEMBL21628894

O=C(NO)c1ccc(Oc2ccc(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 6/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HPGDS O60760 1/20 0.39
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 2/20 0.38
HRH3 Q9Y5N1 4/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL21628892 1.00 POLB (0.43) POLBSMN1; SMN2HDAC6HDAC1HDAC3
SCHEMBL21628510 0.90 OPRM1 (0.49) POLBSMN1; SMN2HPGDSOPRM1OPRD1
SCHEMBL21628508 0.90 OPRM1 (0.49) POLBSMN1; SMN2HPGDSOPRM1OPRD1
SCHEMBL23210687 0.87 MAPT (0.43) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL23210684 0.87 MAPT (0.43) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL23210665 0.86 LMNA (0.51) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL23210666 0.86 LMNA (0.51) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL21628647 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1HRH3
SCHEMBL21628648 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1HRH3
SCHEMBL21628671 0.85 HDAC6 (0.45) SMN1; SMN2HDAC6HDAC1HDAC3HDAC11

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-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-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 (5 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 POLB 3699/4885SMN1; SMN2 796/4885HDAC6 2604/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK POLB 2979/4885SMN1; SMN2 1107/4885HDAC6 2978/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR POLB 814/4885SMN1; SMN2 919/4885HDAC6 1293/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885HDAC6 2604/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885HDAC6 2604/4885

“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.