SCHEMBL14740917

SCHEMBL14740917

CN1CCCc2cc(/C=N/O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
GAA P10253 1/20 0.68
HPGD P15428 1/20 0.68
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
WDR5 P61964 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35

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
SCHEMBL14740918 1.00 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16440968 1.00 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16440975 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL14740994 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL14740996 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL31696350 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL21411257 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL5622097 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL12047896 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL24784486 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALDH1A1 3792/4885KMT2A 4450/4885MAPT 4110/4885

“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.