SCHEMBL21628889

SCHEMBL21628889

O=C(O)c1cnc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMO O15229 1/20 0.43
HAO1 Q9UJM8 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
DHODH Q02127 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL20482060 1.00 KMT2A (0.45) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL21628737 0.99 KMT2A (0.43) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL21628405 0.96 FEN1 (0.42) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL21628617 0.94 MRGPRX4 (0.46) MRGPRX4DHODHALOX5APFEN1
SCHEMBL21628699 0.89 PARP10 (0.45) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL21628418 0.89 PARP10 (0.45) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL21628434 0.88 PARP10 (0.46) HAO1ALOX5APFEN1
SCHEMBL21628663 0.87 HDAC6 (0.51) KMT2AHAO1MEN1POLBNPC1
SCHEMBL20482263 0.87 HDAC6 (0.51) KMT2AHAO1MEN1POLBNPC1
SCHEMBL21628383 0.87 SMN1; SMN2 (0.42) KMT2AKDM4EGLAHTTSMN1; SMN2

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 8 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-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 (6 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 KMT2A 313/4885KDM4E 143/4885GLA 3886/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK KMT2A 313/4885KDM4E 143/4885GLA 3886/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK KMT2A 248/4885KDM4E 152/4885GLA 3837/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK KMT2A 313/4885KDM4E 143/4885GLA 3886/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK KMT2A 313/4885KDM4E 143/4885GLA 3886/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK KMT2A 313/4885KDM4E 143/4885GLA 3886/4885

“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.