SCHEMBL2962650

SCHEMBL2962650

Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2Cl)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4177681 0.84 L3MBTL1 (0.40) ALDH1A1LMNATSHRSMN1; SMN2CYP2C9
SCHEMBL2955104 0.83 P2RX7 (0.43) ALDH1A1HSD17B10LMNATSHRSMN1; SMN2
SCHEMBL2952792 0.82 L3MBTL1 (0.42) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP2C9
SCHEMBL5771257 0.81 ELANE (0.32) ALDH1A1HSD17B10NPSR1GAAPOLB
SCHEMBL5772185 0.80 HIF1A (0.36) ALDH1A1LMNATSHRSMN1; SMN2CYP2C9
SCHEMBL5719350 0.77 ADORA2B (0.43) ALDH1A1HSD17B10LMNASMN1; SMN2CYP2C9
SCHEMBL5719315 0.77 TSHR (0.51) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL2964029 0.76 KMT2A (0.37) ALDH1A1HSD17B10LMNASMN1; SMN2NPSR1
SCHEMBL6409570 0.76 MAOB (0.38) ALDH1A1HSD17B10LMNATSHRSMN1; SMN2
SCHEMBL23146029 0.76 KMT2A (0.41) ALDH1A1TSHRHPGDCYP2C9CYP2C19

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 9 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ALDH1A1 1186/4885HSD17B10 3580/4885LMNA 1847/4885
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 ALDH1A1 1467/4885HSD17B10 3794/4885LMNA 2494/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ALDH1A1 3230/4885HSD17B10 1746/4885LMNA 4583/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885HSD17B10 2805/4885LMNA 3909/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885HSD17B10 2805/4885LMNA 3909/4885

“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.