SCHEMBL16939872

SCHEMBL16939872

C[C@H](Nc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ UTRN P46939 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL15597759 0.93 IMPDH2 (0.59) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL16933395 0.93 IMPDH2 (0.59) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL15568041 0.93 IMPDH2 (0.59) IMPDH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL2242920 0.82 SMN1; SMN2 (0.80) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL16939832 0.82 POLB (0.64) IMPDH2MAPTPOLB
SCHEMBL2607750 0.82 POLB (0.64) IMPDH2MAPTPOLB
SCHEMBL16939828 0.82 POLB (0.64) IMPDH2MAPTPOLB
SCHEMBL16939856 0.80 MAPT (0.58) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL2244578 0.80 NPC1 (0.80) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL15597621 0.79 IMPDH2 (0.78) IMPDH2ALDH1A1KDM4EMAPTHPGD

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 IMPDH2 2/4885ALDH1A1 57/4885KDM4E 2734/4885

“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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