SCHEMBL8973697

SCHEMBL8973697

CCCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MGLL Q99685 2/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL5694459 0.95 MAPT (0.53) MAPTALDH1A1POLBMGLLMEN1
SCHEMBL11132387 0.93 MAPT (0.51) MAPTALDH1A1POLBMGLLMEN1
SCHEMBL8811170 0.89 MAPT (0.58) MAPTALDH1A1POLBMAOAMAOB
SCHEMBL9570633 0.87 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10401626 0.85 MAPT (0.52) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10401625 0.85 MAPT (0.52) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10485355 0.85 MAPT (0.45) MAPTALDH1A1POLBMGLLMEN1
SCHEMBL8746687 0.85 ALDH1A1 (0.64) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL14113990 0.83 MAPT (0.47) MAPTALDH1A1POLBMGLLMEN1
SCHEMBL10485392 0.83 THRA (0.48) MAPTALDH1A1POLBMGLLMEN1

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-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
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP 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 (3 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 MAPT 4213/4885ALDH1A1 1300/4885POLB 2751/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 MAPT 4213/4885ALDH1A1 1300/4885POLB 2751/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885ALDH1A1 1300/4885POLB 2751/4885

“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.