SCHEMBL3939697

SCHEMBL3939697

COC(=O)CC(C(=O)c1ccc(OC)cc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MITF O75030 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KCNA5 P22460 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ BCHE P06276 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
SCHEMBL9733728 0.78 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1CYP1A2HTT
SCHEMBL12217089 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL5856026 0.77 CYP1A2 (0.53) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL12087551 0.76 CYP1A2 (0.49) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11482394 0.76 CYP1A2 (0.51) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL7140563 0.76 CYP1A2 (0.54) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL2529186 0.75 HDAC8 (0.41) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL6390486 0.75 L3MBTL1 (0.48) LMNAALDH1A1GAAHTTCA1
SCHEMBL8585877 0.75 L3MBTL1 (0.51) LMNAALDH1A1GAAHTTMAPT
SCHEMBL1375091 0.75 LMNA (0.57) SMN1; SMN2LMNAALDH1A1MITFHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 — — US disclosed
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 — — EP disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 — — US disclosed
EP-2017266-A1 Pyridazine derivatives and medicines containing the same as effective ingredients Kowa Co., Ltd. (JP) 2009-01-21 — — EP disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 — — US disclosed
US-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2007-09-06 — — US disclosed
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 — — US disclosed
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2006-07-20 — — US disclosed
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-12-01 — — US disclosed
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-03-24 — — US disclosed
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2004-07-29 — — US disclosed
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2002-09-05 — — US disclosed
US-6348468-B1 THESE COMPOUNDS HAVE EXCELLENT INHIBITORY ACTIVITY AGAINST INTERLEUKIN-1.BETA. PRODUCTION, IMMUNE SYSTEM DISEASES, INFLAMMATORY DISEASES, ISCHEMIC DISEASES AND THE LIKE. KOWA CO., LTD. (JP) 2002-02-19 — — US disclosed
EP-1043317-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-10-11 — — 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 (10 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-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 SMN1; SMN2 1505/4885LMNA 1304/4885ALDH1A1 626/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 SMN1; SMN2 906/4885LMNA 893/4885ALDH1A1 461/4885
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 SMN1; SMN2 1584/4885LMNA 1438/4885ALDH1A1 539/4885
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 SMN1; SMN2 1410/4885LMNA 1434/4885ALDH1A1 464/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 SMN1; SMN2 1744/4885LMNA 1874/4885ALDH1A1 391/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 SMN1; SMN2 1410/4885LMNA 1434/4885ALDH1A1 464/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 SMN1; SMN2 1410/4885LMNA 1434/4885ALDH1A1 464/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 SMN1; SMN2 1584/4885LMNA 1438/4885ALDH1A1 539/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 SMN1; SMN2 1744/4885LMNA 1874/4885ALDH1A1 391/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 SMN1; SMN2 1505/4885LMNA 1304/4885ALDH1A1 626/4885

“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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