SCHEMBL26419145

SCHEMBL26419145

C[C@H]1Cc2c(O)c(C(=O)Nc3ncccn3)c(=O)n(C)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 7/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ TP53 P04637 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ NLRP3 Q96P20 1/20 0.55
▸ MAPT P10636 10/20 0.42
▸ HTT P42858 5/20 0.42
▸ USP2 O75604 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ AHR P35869 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL26086594 1.00 LMNA (0.55) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26419137 1.00 LMNA (0.55) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26419414 0.87 NPC1 (0.60) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26088308 0.87 NPC1 (0.60) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26419417 0.87 NPC1 (0.60) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26419141 0.78 RAB9A (0.54) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26419131 0.78 RAB9A (0.54) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26088179 0.78 RAB9A (0.54) LMNAKDM4EALDH1A1RAB9ANPC1
SCHEMBL26086552 0.76 AHR (0.38) LMNAAHR
SCHEMBL26086876 0.75 AHR (0.69) LMNAKDM4EALDH1A1RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
US-12037322-B2 AHR agonists ELI LILLY AND COMPANY (US) 2024-07-16 — — US disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — US disclosed
US-20230127797-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-04-27 — — 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 (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-12037322-B2 AHR agonists AHR, ARNT, RORC LMNA 4176/4885KDM4E 1656/4885ALDH1A1 724/4885
US-20230127797-A1 AHR AGONISTS AHR, ARNT, RORC LMNA 4176/4885KDM4E 1656/4885ALDH1A1 724/4885

“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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