SCHEMBL13182114

SCHEMBL13182114

CC(C)(C)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.69
▸ KDM4E B2RXH2 12/20 0.69
▸ HSD17B10 Q99714 10/20 0.69
▸ HPGD P15428 9/20 0.69
▸ MAPT P10636 7/20 0.69
▸ NPSR1 Q6W5P4 3/20 0.69
▸ TSHR P16473 3/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ USP2 O75604 1/20 0.69
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ TP53 P04637 2/20 0.67
▸ RXFP1 Q9HBX9 2/20 0.66
▸ PPARG P37231 3/20 0.65
▸ NCOA2 Q15596 1/20 0.65
▸ NCOA1 Q15788 1/20 0.65
▸ NCOA3 Q9Y6Q9 1/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ APEX1 P27695 1/20 0.64

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
SCHEMBL2607551 0.89 NPC1 (0.75) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL2243229 0.88 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL2242824 0.87 CASP3 (0.71) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4082942 0.86 ALDH1A1 (0.79) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL29479738 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL13182115 0.82 MAPT (1.00) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL24454952 0.82 MAPT (0.63) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL31284616 0.82 MAPT (0.63) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL16942520 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL2242881 0.78 MAPT (0.79) ALDH1A1KDM4EHSD17B10HPGDMAPT

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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 — — US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 — — US disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 — — WO 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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 ALDH1A1 45/4885KDM4E 1620/4885HSD17B10 542/4885

“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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