SCHEMBL26874229

SCHEMBL26874229

COc1cc(-c2cc3cc(OC=O)ccc3cn2)cc(OC)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ CASP3 P42574 2/20 0.45
▸ SENP7 Q9BQF6 2/20 0.45
▸ IDO1 P14902 6/20 0.39
▸ TDO2 P48775 6/20 0.39
▸ CBFB Q13951 1/20 0.35
▸ PDGFRB P09619 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL24204600 0.81 NPC1 (0.59) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL30389877 0.81 NPC1 (0.59) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL24204822 0.80 NPC1 (0.43) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL26874132 0.78 CYP2A6 (0.40) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL24204669 0.78 NEK2 (0.45) NPC1RAB9AIDO1TDO2PDGFRB
SCHEMBL30390005 0.78 NEK2 (0.45) NPC1RAB9AIDO1TDO2PDGFRB
SCHEMBL24204704 0.77 KDM5B (0.42) NPC1RAB9AIDO1TDO2PDGFRB
SCHEMBL30523281 0.77 KDM5B (0.42) NPC1RAB9AIDO1TDO2PDGFRB
SCHEMBL31010849 0.74 NPC1 (0.54) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL31010865 0.73 NPC1 (0.52) NPC1RAB9ACASP3SENP7IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2024-06-27 — — US disclosed
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2023-11-28 — — 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-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 NPC1 767/4885RAB9A 2589/4885CASP3 2651/4885
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 NPC1 767/4885RAB9A 2589/4885CASP3 2651/4885

“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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