SCHEMBL2961214

SCHEMBL2961214

CC(C)(C)C(=O)OCn1c(=O)n(CCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ CNOT7 Q9UIV1 7/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PDE1A P54750 1/20 0.49
▸ PDE1B Q01064 1/20 0.49
▸ PDE1C Q14123 1/20 0.49
▸ MAPT P10636 1/20 0.47

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
SCHEMBL2957710 0.93 ALDH1A1 (0.57) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL2967449 0.89 PDE1A (0.62) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL5718879 0.87 POLB (0.65) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL6380785 0.86 KMT2A (0.52) POLBHIF1AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1947257 0.84 POLB (0.83) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL6380787 0.82 ALDH1A1 (0.48) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL5719179 0.82 POLB (0.66) POLBHIF1ACNOT7ALDH1A1SMN1; SMN2
SCHEMBL2952786 0.80 BRD4 (0.59) POLBCNOT7ALDH1A1KMT2AMEN1
SCHEMBL5789121 0.78 KDM4E (0.55) POLBCNOT7ALDH1A1KMT2AMEN1
SCHEMBL2965812 0.78 POLB (0.42) POLBHIF1AALDH1A1KMT2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 — — US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 — — US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 — — US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 — — US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 — — US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 — — US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 — — US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 — — US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 — — US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 — — EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 — — EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 — — 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 (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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 POLB 4027/4885HIF1A 1378/4885CNOT7 193/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 POLB 4529/4885HIF1A 2615/4885CNOT7 4185/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 POLB 3135/4885HIF1A 2555/4885CNOT7 847/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 POLB 3135/4885HIF1A 2555/4885CNOT7 847/4885

“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.

Send feedback