SCHEMBL21628645

SCHEMBL21628645

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PTGER4 P35408 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
IGFBP3 P17936 1/20 0.43
SRD5A2 P31213 1/20 0.43
LMNA P02545 2/20 0.42
GRM4 Q14833 1/20 0.42
LIPE Q05469 3/20 0.42
SCN9A Q15858 1/20 0.41
MAP4K4 O95819 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL21628893 0.90 PTGER4 (0.45) SMN1; SMN2PTGER4MRGPRX4
SCHEMBL21628804 0.90 PTGER4 (0.45) SMN1; SMN2PTGER4MRGPRX4IGFBP3SCN9A
SCHEMBL21628728 0.88 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGRM4LIPESCN9A
SCHEMBL20827019 0.88 PTGER4 (0.51) SMN1; SMN2PTGER4SRD5A2
SCHEMBL21628709 0.87 PTGER4 (0.43) SMN1; SMN2PTGER4MRGPRX4LMNASCN9A
SCHEMBL21628543 0.86 PTGER4 (0.43) SMN1; SMN2PTGER4MRGPRX4LMNASCN9A
SCHEMBL21628650 0.86 LMNA (0.57) SMN1; SMN2PTGER4LMNALIPEKDR
SCHEMBL21628896 0.86 HDAC1 (0.49) SMN1; SMN2LIPE
SCHEMBL27335243 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PTGER4MRGPRX4SRD5A2LMNA
SCHEMBL21628379 0.85 LIPE (0.43) SMN1; SMN2LMNALIPE

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 7 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-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 (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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885PTGER4 4387/4885MRGPRX4 1318/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SMN1; SMN2 1107/4885PTGER4 4252/4885MRGPRX4 1698/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885PTGER4 4387/4885MRGPRX4 1318/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885PTGER4 4387/4885MRGPRX4 1318/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMN1; SMN2 796/4885PTGER4 4387/4885MRGPRX4 1318/4885

“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.