SCHEMBL15060972

SCHEMBL15060972

CC[C@H](O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
PTGS2 P35354 1/20 0.53
LMNA P02545 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD4 P21917 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1496497 1.00 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL15060886 1.00 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7270186 0.90 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL18587967 0.86 ALDH1A1 (0.65) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL28531533 0.86 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11569325 0.85 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496537 0.85 GAA (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496684 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11036094 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7805047 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 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 (4 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ALDH1A1 1300/4885GAA 1574/4885SMN1; SMN2 4358/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885GAA 2023/4885SMN1; SMN2 2993/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 ALDH1A1 1300/4885GAA 1574/4885SMN1; SMN2 4358/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ALDH1A1 1300/4885GAA 1574/4885SMN1; SMN2 4358/4885

“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.