SCHEMBL22071088

SCHEMBL22071088

COC(=O)Cc1cccc(COc2ccc(-c3cnco3)nc2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 18/20 0.79
▸ CYP4A11 Q02928 18/20 0.79
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL22070661 0.88 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098497 0.81 CYP4F2 (0.71) CYP4F2CYP4A11
SCHEMBL22070580 0.78 CYP4F2 (0.55) CYP4F2CYP4A11
SCHEMBL22070806 0.77 CYP4F2 (0.79) CYP4F2CYP4A11
SCHEMBL14539034 0.74 RAB9A (0.62) NPC1ALDH1A1RAB9A
SCHEMBL12400239 0.69 SLC7A5 (0.68) CYP4F2CYP4A11NPC1ALDH1A1RAB9A
SCHEMBL26690016 0.68 SLC7A5 (0.59) CYP4F2CYP4A11NPC1ALDH1A1RAB9A
SCHEMBL2848161 0.68 MAOB (0.60) CYP4F2CYP4A11ALDH1A1RAB9ASLC7A5
SCHEMBL22070485 0.67 CYP4F2 (0.80) CYP4F2CYP4A11
SCHEMBL3944540 0.67 P4HTM (0.57) NPC1ALDH1A1RAB9A

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-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 — — US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 — — CN 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885NPC1 2753/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CYP4F2 20/4885CYP4A11 2/4885NPC1 2753/4885

“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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