SCHEMBL2921771

SCHEMBL2921771

CCOC(=O)c1c(NC(C)=O)sc2c(O)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 1.00
▸ LMNA P02545 1/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ KDM4E B2RXH2 4/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ MEN1 O00255 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ TSHR P16473 3/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ RECQL P46063 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54

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
SCHEMBL31459968 1.00 MAPT (1.00) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL16521105 0.88 MAPT (0.78) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL4298608 0.85 KDM4E (1.00) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL16521104 0.84 KDM4E (0.81) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL13980047 0.81 MAPT (0.68) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL3988992 0.81 MAPT (0.67) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL5165684 0.81 MAPT (0.67) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL31459864 0.81 KMT2A (1.00) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL15172955 0.81 KMT2A (1.00) MAPTLMNAALOX12KDM4ECYP1A2
SCHEMBL31459976 0.81 MAPT (0.75) MAPTLMNAALOX12KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 — — EP disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 — — EP disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US disclosed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 — — EP disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 — — US disclosed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 — — WO disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 — — 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 (3 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 MAPT 3725/4885LMNA 339/4885ALOX12 1534/4885
US-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 MAPT 1642/4885LMNA 4510/4885ALOX12 1012/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 MAPT 1642/4885LMNA 4510/4885ALOX12 1012/4885

“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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