SCHEMBL688485

SCHEMBL688485

O=C(O)Cc1cc(=O)[nH][nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.58
▸ MAPT P10636 8/20 0.43
▸ GAA P10253 8/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ GABRR1 P24046 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
SCHEMBL2767743 0.74 GRIN2D (0.40) PDPK1ALDH1A1TDP1KMT2ANPSR1
SCHEMBL2108830 0.74 SMN1; SMN2 (0.59) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL8516381 0.68 — —
SCHEMBL31446424 0.65 GPR84 (0.46) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL28192196 0.65 GPR84 (0.46) MAPTGAAALDH1A1TDP1KMT2A
SCHEMBL23395179 0.65 — —
SCHEMBL18774962 0.64 DAO (0.64) PDPK1MAPTKMT2AMEN1POLB
SCHEMBL693213 0.64 — —
SCHEMBL8688407 0.62 ALDH1A1 (0.44) MAPTGAAALDH1A1TDP1KMT2A
SCHEMBL11811837 0.61 ALDH1A1 (0.42) MAPTGAAALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — 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 (1 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 PDPK1 4396/4885MAPT 4287/4885GAA 221/4885

“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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