SCHEMBL21628565

SCHEMBL21628565

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.48
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
LIPE Q05469 7/20 0.46
LMNA P02545 2/20 0.44
SCN9A Q15858 2/20 0.44
BRAF P15056 1/20 0.44
PTGER4 P35408 1/20 0.43
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL21628409 0.91 HPGD (0.44) RAF1ICAM1SELESMN1; SMN2HPGD
SCHEMBL21628391 0.91 HPGD (0.44) RAF1ICAM1SELESMN1; SMN2HPGD
SCHEMBL21628439 0.90 SMN1; SMN2 (0.47) RAF1ICAM1SELESMN1; SMN2HPGD
SCHEMBL21628896 0.89 HDAC1 (0.49) SMN1; SMN2LIPE
SCHEMBL21628547 0.89 HPGD (0.43) RAF1ICAM1SELESMN1; SMN2HPGD
SCHEMBL21628534 0.88 SMN1; SMN2 (0.42) RAF1ICAM1SELESMN1; SMN2HPGD
SCHEMBL21628650 0.86 LMNA (0.57) SMN1; SMN2LIPELMNAPTGER4KDM4E
SCHEMBL21628614 0.86 NPC1 (0.45) RAF1SMN1; SMN2HPGDTSHRHTT
SCHEMBL21628745 0.86 MMP13 (0.56) SMN1; SMN2HPGDTSHRHTTPTGER4
SCHEMBL21628645 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LIPELMNASCN9APTGER4

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 RAF1 2759/4885ICAM1 1962/4885SELE 2216/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK RAF1 2711/4885ICAM1 1848/4885SELE 2237/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RAF1 2759/4885ICAM1 1962/4885SELE 2216/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RAF1 2759/4885ICAM1 1962/4885SELE 2216/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RAF1 2759/4885ICAM1 1962/4885SELE 2216/4885

“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.