Sugi Predict

Sugi Predict / Compounds / SCHEMBL4947232

SCHEMBL4947232

SCHEMBL4947232

CC(=O)c1c(OCc2ccccc2)cccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.61
▸ FOLH1 Q04609 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ BRD4 O60885 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ LIPE Q05469 1/20 0.54
▸ PTGER1 P34995 2/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ PTGER2 P43116 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ ALPG P10696 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ RXRA P19793 2/20 0.51

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
SCHEMBL6451155 0.94 RXRA (0.57) MAOBFOLH1CA9BRD4MAPT
SCHEMBL1728168 0.90 MAOB (0.76) MAOBFOLH1CA9BRD4MAPT
SCHEMBL30892463 0.90 MAOB (0.76) MAOBFOLH1CA9BRD4MAPT
SCHEMBL4946009 0.87 MAOB (0.50) MAOBFOLH1CA9BRD4MAPT
SCHEMBL3915743 0.87 MAOB (0.50) MAOBFOLH1CA9BRD4MAPT
SCHEMBL8204822 0.85 FOLH1 (0.69) FOLH1BRD4MAPTTDP1L3MBTL1
SCHEMBL1682160 0.85 MAPT (0.55) MAOBCA9BRD4MAPTTDP1
SCHEMBL11739144 0.85 MAOB (0.59) MAOBCA9BRD4MAPTTDP1
SCHEMBL5743109 0.82 FOLH1 (0.57) FOLH1BRD4MAPTTDP1L3MBTL1
SCHEMBL11519443 0.82 FOLH1 (0.57) FOLH1BRD4MAPTTDP1L3MBTL1

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 21 patents — showing the first 20. 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
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 — — US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 — — US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 — — US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 — — EP disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 — — EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 — — US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 — — US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 — — US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 — — US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 — — US disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 — — EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 — — US disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 — — WO disclosed
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 — — EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 — — US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 — — EP 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 (4 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 MAOB 230/4885FOLH1 2199/4885CA9 582/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 MAOB 230/4885FOLH1 2199/4885CA9 582/4885
US-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 MAOB 3448/4885FOLH1 4792/4885CA9 545/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS MAOB 340/4885FOLH1 4262/4885CA9 1673/4885

“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.