SCHEMBL16939846

SCHEMBL16939846

CC(Cc1ccccc1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.66
▸ ALDH1A1 P00352 8/20 0.66
▸ NPC1 O15118 7/20 0.66
▸ RAB9A P51151 7/20 0.66
▸ POLB P06746 6/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ HPGD P15428 7/20 0.62
▸ HSD17B10 Q99714 4/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ UTRN P46939 1/20 0.61
▸ MAPT P10636 5/20 0.60
▸ PPARG P37231 1/20 0.60
▸ NR2E3 Q9Y5X4 1/20 0.60
▸ NCOR2 Q9Y618 1/20 0.60
▸ CHIA Q9BZP6 1/20 0.59
▸ MAPK1 P28482 3/20 0.58

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
SCHEMBL15569860 0.94 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2242920 0.86 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2244578 0.84 NPC1 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL16939847 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL16939851 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL16939853 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL22043476 0.81 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2246316 0.81 ALDH1A1 (0.87) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2607558 0.80 MAPT (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL22043468 0.80 MAPT (0.69) SMN1; SMN2ALDH1A1NPC1RAB9APOLB

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-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

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 SMN1; SMN2 4091/4885ALDH1A1 57/4885NPC1 594/4885

“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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