SCHEMBL15569860

SCHEMBL15569860

CC(Cc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.70
▸ HPGD P15428 3/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ POLB P06746 3/20 0.70
▸ PPARG P37231 1/20 0.70
▸ NR2E3 Q9Y5X4 1/20 0.70
▸ NCOR2 Q9Y618 1/20 0.70
▸ KDM4E B2RXH2 3/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ MAPT P10636 2/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ LMNA P02545 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TDP1 Q9NUW8 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
SCHEMBL16939846 0.94 SMN1; SMN2 (0.66) ALDH1A1HPGDHSD17B10POLBPPARG
SCHEMBL15597717 0.85 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10POLBPPARG
SCHEMBL15569657 0.85 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10POLBPPARG
SCHEMBL15569659 0.85 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10POLBPPARG
SCHEMBL13182104 0.82 KDM4E (0.69) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL16942520 0.81 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL2242920 0.81 SMN1; SMN2 (0.80) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL2244578 0.79 NPC1 (0.80) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL4082942 0.78 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10POLBPPARG
SCHEMBL22043476 0.78 SMN1; SMN2 (0.58) ALDH1A1HPGDHSD17B10POLBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 — — US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 — — US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 — — US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 — — US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 — — WO disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 — — 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 ALDH1A1 57/4885HPGD 45/4885HSD17B10 705/4885

“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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