SCHEMBL15569659

SCHEMBL15569659

CC(C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ HPGD P15428 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ POLB P06746 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ PPARG P37231 1/20 0.64
▸ NR2E3 Q9Y5X4 1/20 0.64
▸ NCOR2 Q9Y618 1/20 0.64

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
SCHEMBL15569657 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL15597717 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL16939851 0.93 SMN1; SMN2 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL16939847 0.93 SMN1; SMN2 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL16939853 0.93 SMN1; SMN2 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL15597459 0.92 CASP3 (0.61) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL15597701 0.89 KDM4E (0.65) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL15569860 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTNPSR1RXFP1
SCHEMBL16939855 0.85 CASP3 (0.61) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL13182104 0.85 KDM4E (0.69) ALDH1A1KDM4EMAPTHPGDHSD17B10

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 57/4885KDM4E 2734/4885MAPT 3597/4885

“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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