SCHEMBL20582010

SCHEMBL20582010

O=C(O)Nc1ncc(C(F)(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ AGBL2 Q5U5Z8 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ SORT1 Q99523 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HCRTR1 O43613 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23098492 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EGAASORT1
SCHEMBL27088050 0.76 NPC1 (0.42) SMN1; SMN2ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL4380509 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EGAARAB9A
SCHEMBL7849700 0.75 LMNA (0.51) ALDH1A1KDM4EGAAL3MBTL1KMT2A
SCHEMBL17007137 0.75 HCRTR1 (0.63) HCRTR1
SCHEMBL1499037 0.74 GLA (0.49) SMN1; SMN2ALDH1A1KDM4EAGBL2GAA
SCHEMBL22583216 0.72 GPR35 (0.47) SMN1; SMN2ALDH1A1KDM4EAGBL2GAA
SCHEMBL9952941 0.72 AGBL2 (0.45) SMN1; SMN2ALDH1A1KDM4EAGBL2GAA
SCHEMBL17315809 0.71 AGBL2 (0.44) SMN1; SMN2ALDH1A1KDM4EAGBL2GAA
SCHEMBL1498826 0.70 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EAGBL2GAA

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-11124494-B2 Aryl heterocyclic piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-21 — — US disclosed
EP-3634956-B1 ARYL HETEROCYCLIC PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-07 — — EP disclosed
US-20210078971-A1 ARYL HETEROCYCLIC PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-03-18 — — US disclosed
EP-3634956-A1 ARYL HETEROCYCLIC PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2020-04-15 — — EP disclosed
WO-2018227061-A1 ARYL HETEROCYCLIC PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-13 — — WO 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 (2 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-11124494-B2 Aryl heterocyclic piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists FPR1, FPR2, FPR3 SMN1; SMN2 4391/4885ALDH1A1 3593/4885KDM4E 4563/4885
US-20210078971-A1 ARYL HETEROCYCLIC PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS FPR1, FPR2, FPR3 SMN1; SMN2 4391/4885ALDH1A1 3593/4885KDM4E 4563/4885

“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.

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