SCHEMBL29493154

SCHEMBL29493154

CCCC(=O)Oc1cc(-c2cc3ccccc3cn2)cc(O)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CA2 P00918 2/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IDO1 P14902 3/20 0.36
▸ TDO2 P48775 3/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33

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
SCHEMBL26874136 0.84 NPC1 (0.44) RAB9ANPC1S1PR1TDP1L3MBTL1
SCHEMBL27033433 0.81 NPC1 (0.41) RAB9ANPC1S1PR1TDP1IDO1
SCHEMBL30365932 0.80 NPC1 (0.50) RAB9ANPC1TDP1IDO1TDO2
SCHEMBL24204595 0.80 NPC1 (0.50) RAB9ANPC1TDP1IDO1TDO2
SCHEMBL27033328 0.79 NPC1 (0.41) RAB9ANPC1S1PR1TDP1IDO1
SCHEMBL24204592 0.78 NPC1 (0.40) RAB9ANPC1S1PR1TDP1IDO1
SCHEMBL30389777 0.78 NPC1 (0.40) RAB9ANPC1S1PR1TDP1IDO1
Trifluoroacetic Acid SCHEMBL29493151 0.75 CACNA1B (0.40) RAB9ANPC1CA2L3MBTL1IDO1
SCHEMBL31010848 0.75 NPC1 (0.46) RAB9ANPC1TDP1IDO1TDO2
SCHEMBL27253275 0.75 NPC1 (0.46) RAB9ANPC1TDP1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260069585-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR MEDIATED DISEASES Dermavant Sciences GmbH (CH) 2026-03-12 — — US disclosed
US-20250282730-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2025-09-11 — — US disclosed
US-12252471-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2025-03-18 — — US disclosed
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2024-06-27 — — US disclosed
WO-2024050434-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR MEDIATED DISEASES Dermavant Sciences GmbH (CH) 2024-03-07 — — WO disclosed
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2023-11-28 — — US disclosed
EP-4185566-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AHR IMBALANCE Dermavant Sciences GmbH (CH) 2023-05-31 — — EP disclosed
US-20230124135-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2023-04-20 — — US disclosed
US-11548853-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2023-01-10 — — US disclosed
US-20220153703-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2022-05-19 — — US disclosed
US-11267788-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2022-03-08 — — 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 (9 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-20230124135-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-12252471-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-20250282730-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-20260069585-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR MEDIATED DISEASES HRH2, AHR, HRH1 RAB9A 843/4885NPC1 1725/4885CA2 1036/4885
US-20220153703-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-11548853-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885
US-11267788-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 RAB9A 2589/4885NPC1 767/4885CA2 2298/4885

“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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