SCHEMBL4429031

SCHEMBL4429031

Cc1nn(C)cc1[CH]C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL308028 0.75
SCHEMBL4574414 0.74 RAB9A (0.63) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL15764942 0.74 RAB9A (0.68) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4574411 0.74 RAB9A (0.63) RAB9ANPC1NFKB1NFKB2RELA
Fluoride SCHEMBL28027848 0.74 ALDH1A1 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL1224892 0.72 GAA (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL4424975 0.72 RAB9A (0.41) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL8931532 0.71
SCHEMBL16962890 0.71 HTT (0.66) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL22708319 0.69 RAB9A (0.50) RAB9ANPC1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-09 US disclosed
EP-2755970-B1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-03-30 EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2015-03-26 US disclosed
US-8912224-B2 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2014-12-16 US disclosed
EP-2567958-B1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI SA (FR) 2014-10-29 EP disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP disclosed
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-14 US disclosed
EP-2567958-A1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2013-03-13 EP disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 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 (10 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 RAB9A 3197/4885NPC1 3223/4885NFKB1 3865/4885
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 RAB9A 1271/4885NPC1 339/4885NFKB1 4699/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 RAB9A 3635/4885NPC1 2435/4885NFKB1 2574/4885
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 RAB9A 1482/4885NPC1 344/4885NFKB1 4257/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 RAB9A 3074/4885NPC1 3165/4885NFKB1 3857/4885
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, RYR1 RAB9A 1262/4885NPC1 323/4885NFKB1 4717/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 RAB9A 3635/4885NPC1 2435/4885NFKB1 2574/4885
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 RAB9A 1271/4885NPC1 339/4885NFKB1 4699/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 RAB9A 3635/4885NPC1 2435/4885NFKB1 2574/4885
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 RAB9A 1482/4885NPC1 344/4885NFKB1 4257/4885

“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.