SCHEMBL2122221

SCHEMBL2122221

COC(=O)c1ccccc1-c1nc2ccc(C)cn2c1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL15988249 0.87 RAB9A (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2120778 0.85 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1691129 0.78 SLC2A1 (0.47) KDM4ERAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL14646314 0.74 GABRA1 (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2312203 0.73 GABRB2 (0.67) KDM4ERAB9AHPGDHSD17B10NPC1
SCHEMBL1691670 0.72 GABRA1 (0.65) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL6012061 0.71 NR1H4 (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL1691385 0.71 NPC1 (0.63) KDM4ERAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL1692237 0.70 NR1H4 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14632109 0.70 GABRA1 (0.59) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 — — US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 — — EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 — — 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 (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-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI KDM4E 1668/4885ALDH1A1 539/4885RAB9A 1786/4885

“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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