SCHEMBL2607558

SCHEMBL2607558

CC(Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.70
▸ POLB P06746 2/20 0.67
▸ NPC1 O15118 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ UTRN P46939 1/20 0.64
▸ TP53 P04637 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61

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
SCHEMBL16939835 0.94 NPC1 (0.69) MAPTPOLBNPC1ALDH1A1RAB9A
SCHEMBL13182104 0.94 KDM4E (0.69) MAPTALDH1A1KDM4ELMNATHRB
SCHEMBL16939873 0.94 MAPT (0.73) MAPTPOLBNPC1ALDH1A1RAB9A
SCHEMBL16939827 0.93 MAPT (0.66) MAPTPOLBNPC1ALDH1A1RAB9A
SCHEMBL16939829 0.92 MAPT (0.67) MAPTALDH1A1KDM4ETP53LMNA
SCHEMBL16939838 0.88 LMNA (0.66) MAPTPOLBNPC1ALDH1A1RAB9A
SCHEMBL16939875 0.87 IMPDH2 (0.72) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL16939840 0.87 IMPDH2 (0.72) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL16939836 0.87 IMPDH2 (0.67) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL2242920 0.86 SMN1; SMN2 (0.80) MAPTPOLBNPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 — — US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 — — 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885POLB 2033/4885NPC1 641/4885

“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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