SCHEMBL3046643

SCHEMBL3046643

CC(C)(C)Sc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TDP1 Q9NUW8 5/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 5/20 0.50
CYP3A4 P08684 5/20 0.50
TSHR P16473 1/20 0.50
SLC6A4 P31645 1/20 0.50
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ACHE P22303 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.36
AR P10275 1/20 0.36
ALOX15 P16050 3/20 0.35
PDE7A Q13946 1/20 0.34
CA3 P07451 1/20 0.33

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
SCHEMBL12012131 0.80 ALDH1A1 (0.67) ALDH1A1TDP1KDM4EHSD17B10MAPK1
SCHEMBL21100519 0.78 SLC6A4 (0.48) ALDH1A1TDP1KDM4EHSD17B10MAPK1
SCHEMBL12581320 0.77 SLC6A4 (0.53) ALDH1A1TDP1KDM4EHSD17B10SLC6A4
SCHEMBL333951 0.76 SLC6A4 (0.47) ALDH1A1TDP1KDM4EHSD17B10TSHR
SCHEMBL13923556 0.76 SLC6A4 (0.47) ALDH1A1KDM4EHSD17B10SLC6A4AR
SCHEMBL15063439 0.74 SLC6A4 (0.45) ALDH1A1TDP1KDM4EHSD17B10SLC6A4
SCHEMBL7937564 0.74 SLC6A4 (0.45) ALDH1A1TDP1KDM4EHSD17B10MAPK1
SCHEMBL2480563 0.74 NR1H2 (0.50) ALDH1A1KDM4EHSD17B10CYP3A4TSHR
SCHEMBL3628830 0.74 ALDH1A1 (0.58) ALDH1A1TDP1KDM4EHSD17B10MAPK1
SCHEMBL5546729 0.74 SLC6A4 (0.45) ALDH1A1TDP1KDM4EHSD17B10SLC6A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
EP-3163368-A1 LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-05-03 EP disclosed
US-9018362-B2 Oligonucleotide and use thereof NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 US disclosed
US-9018362-B2 Oligonucleotide and use thereof NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 US disclosed
US-20130225797-A1 OLIGONUCLEOTIDE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-29 US disclosed
US-20130225797-A1 OLIGONUCLEOTIDE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-29 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
CN-1849315-A Novel nitrogen-containing heterocyclic amides for the treatment of pain ABBOTT LAB (US) 2006-10-18 CN disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 US disclosed
US-4075345-A 3-PYRIDYLMETHYL ARYL UREA RODENTICIDES COMPOSITIONS ROHM AND HAAS COMPANY (US) 1978-02-21 US disclosed
US-3994905-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-11-30 US disclosed
US-3931203-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-01-06 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 (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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 ALDH1A1 213/4885TDP1 3760/4885KDM4E 4209/4885
US-20130225797-A1 OLIGONUCLEOTIDE AND USE THEREOF NOP2, HNRNPA2B1, NSUN2 ALDH1A1 836/4885TDP1 1752/4885KDM4E 4572/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 ALDH1A1 843/4885TDP1 1724/4885KDM4E 2816/4885

“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.