SCHEMBL16429010

SCHEMBL16429010

CON(C)C(=O)c1ccc2nc(N(C)C)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MLYCD O95822 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL3734922 0.85 TAS1R3 (0.50) NPC1RAB9AKMT2AHDAC6MAPT
SCHEMBL14740978 0.83 MAPT (0.52) NPC1RAB9AHDAC6MAPTKDM4E
SCHEMBL14740961 0.81 TTR (0.52) NPC1RAB9AKMT2AHDAC6MAPT
SCHEMBL21129476 0.81 TAS1R3 (0.48) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL14741071 0.80 CASP3 (0.53) NPC1RAB9AKMT2AHDAC6MAPT
SCHEMBL14757854 0.76 TAS1R3 (0.43) HDAC6MAPTKDM4EALDH1A1HPGD
SCHEMBL15646756 0.74 TAS1R3 (0.51) NPC1RAB9AKMT2AHDAC6MAPT
SCHEMBL2732912 0.73 GRIA3 (0.46) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL15088704 0.72 CTNNB1 (0.50) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL25477867 0.71 HTR1B (0.50) KDM4EMLYCD

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-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
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US 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
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP NPC1 1233/4885RAB9A 1346/4885KMT2A 4450/4885

“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.