SCHEMBL21628409

SCHEMBL21628409

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGER4 P35408 1/20 0.42
RAF1 P04049 2/20 0.42
HPGDS O60760 1/20 0.42
MMP13 P45452 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
SCN9A Q15858 3/20 0.39
PTK2 Q05397 1/20 0.39
LIPE Q05469 2/20 0.38
LMNA P02545 2/20 0.38
S1PR2 O95136 1/20 0.38
PLK1 P53350 2/20 0.38
F10 P00742 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
SCHEMBL21628391 0.91 HPGD (0.44) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628565 0.91 RAF1 (0.48) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628802 0.89 HDAC6 (0.44) PTGER4
SCHEMBL21628547 0.89 HPGD (0.43) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628439 0.88 SMN1; SMN2 (0.47) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628534 0.88 SMN1; SMN2 (0.42) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL21628867 0.87 LMNA (0.49) HPGDSMN1; SMN2PTGER4LIPELMNA
SCHEMBL21628893 0.85 PTGER4 (0.45) SMN1; SMN2PTGER4
SCHEMBL21628879 0.84 SMN1; SMN2 (0.41) SMN1; SMN2PTGER4HPGDSICAM1SELE
SCHEMBL21628745 0.84 MMP13 (0.56) HPGDTSHRHTTSMN1; SMN2PTGER4

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 6 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-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 (4 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885TSHR 3622/4885HTT 304/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885

“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.