SCHEMBL16933395

SCHEMBL16933395

CC(Nc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ MAPT P10636 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57

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 1.00 IMPDH2 (0.59) IMPDH2KDM4EALDH1A1NPC1TP53
SCHEMBL15568041 1.00 IMPDH2 (0.59) IMPDH2KDM4EALDH1A1NPC1TP53
SCHEMBL16939872 0.93 IMPDH2 (0.62) IMPDH2KDM4EALDH1A1NPC1TP53
SCHEMBL15597621 0.86 IMPDH2 (0.78) IMPDH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15597670 0.86 IMPDH2 (0.78) IMPDH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15597671 0.86 IMPDH2 (0.78) IMPDH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13182379 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15598247 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15598248 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16942520 0.82 ALDH1A1 (0.69) KDM4EALDH1A1NPC1TP53HPGD

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 2/4885KDM4E 2734/4885ALDH1A1 57/4885

“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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