SCHEMBL379229

SCHEMBL379229

N#CC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EPAS1 Q99814 1/20 0.49
EPHX2 P34913 3/20 0.49
RAPGEF3 O95398 2/20 0.48
TRPV1 Q8NER1 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 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
SCHEMBL17237128 0.81 EPHX2 (0.49) EPHX2TRPV1NPC1RAB9AFAAH
SCHEMBL10923878 0.78 PARP10 (0.53) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL4475347 0.78 NPC1 (0.60) MAPTEPHX2TRPV1NPC1RAB9A
SCHEMBL20015846 0.78 EPHX2 (0.57) MAPTTP53SMN1; SMN2EPHX2RAPGEF3
SCHEMBL23389922 0.78 MAPT (0.49) ALDH1A1MAPTTDP1MEN1TP53
SCHEMBL17338824 0.77 EPHX2 (0.51) ALDH1A1MAPTEPHX2TRPV1NPC1
SCHEMBL136576 0.77 MMP2 (0.47) ALDH1A1MAPTTDP1MEN1TP53
SCHEMBL10719753 0.77 GSK3B (0.43) ALDH1A1MAPTTDP1MEN1TP53
SCHEMBL7714214 0.76 EPHX2 (0.55) MAPTMEN1TP53KMT2ASMN1; SMN2
SCHEMBL219654 0.76 EPHX2 (0.68) ALDH1A1TP53TSHRHSD17B10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190050533-A1 Redox-related context adjustments to a reference bioprocess model used in learning systems and methods based on redox indicators PTC THERAPEUTICS, INC. 2019-02-14 US disclosed
US-9630933-B2 Method for producing 1-H-tetrazole derivative NIPPON SODA CO., LTD. (JP) 2017-04-25 US disclosed
US-9630933-B2 Method for producing 1-H-tetrazole derivative NIPPON SODA CO., LTD. (JP) 2017-04-25 US disclosed
US-20150322021-A1 METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2015-11-12 US disclosed
US-20150322021-A1 METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2015-11-12 US disclosed
US-20150158829-A1 METHOD FOR PRODUCING AZIDE COMPOUND, AND METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2015-06-11 US disclosed
US-20150158829-A1 METHOD FOR PRODUCING AZIDE COMPOUND, AND METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2015-06-11 US disclosed
EP-2408434-A1 TREATING ALZHEIMER'S DISEASE AND OSTEOPOROSIS AND REDUCING AGING IPINTL, LLC (US) 2012-01-25 EP disclosed
WO-2010107702-A1 TREATING ALZHEIMER'S DISEASE AND OSTEOPOROSIS AND REDUCING AGING IPINTL, LLC (US) 2010-09-23 WO disclosed
US-6291203-B1 UNSYMMETRICAL FLUORESCENT DYES FOR ORGANELLES MOLECULAR PROBES, INC. 2001-09-18 US disclosed
EP-0093338-A1 Method for the preparation of cyanohydrine-carboxylic-acid esters BAYER AG (DE) 1983-11-09 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 (2 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-20150322021-A1 METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE CBR1, RIF1, CBR3 ALDH1A1 768/4885MAPT 4665/4885TDP1 4383/4885
US-20150158829-A1 METHOD FOR PRODUCING AZIDE COMPOUND, AND METHOD FOR PRODUCING 1-H-TETRAZOLE DERIVATIVE AS3MT, MSMO1, ABL1 ALDH1A1 645/4885MAPT 4506/4885TDP1 1507/4885

“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.