SCHEMBL14740978

SCHEMBL14740978

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
CREBBP Q92793 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45

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
SCHEMBL12991547 0.87 MAPT (0.48) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL14740961 0.84 TTR (0.52) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL16429010 0.83 NPC1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL1680291 0.81 ALDH1A1 (0.59) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL1101431 0.79 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL28562583 0.79 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL31430581 0.79 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2361382 0.79 MAPT (0.54) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL14757854 0.78 TAS1R3 (0.43) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3188802 0.77 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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 4 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-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

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 MAPT 4110/4885ALDH1A1 3792/4885RAB9A 1346/4885

“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.