SCHEMBL16942520

SCHEMBL16942520

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.69
▸ HPGD P15428 4/20 0.69
▸ HSD17B10 Q99714 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ THRB P10828 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ MAPT P10636 1/20 0.62

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
SCHEMBL2251243 0.88 CASP3 (0.71) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL2251250 0.88 CASP3 (0.71) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15597717 0.84 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15569659 0.84 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15569657 0.84 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL4082942 0.83 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15597759 0.82 IMPDH2 (0.59) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL16933395 0.82 IMPDH2 (0.59) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15568041 0.82 IMPDH2 (0.59) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL15597621 0.81 IMPDH2 (0.78) ALDH1A1HPGDHSD17B10KDM4ETSHR

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 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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