SCHEMBL79299

SCHEMBL79299

N#Cc1ccc[nH]1.Nc1ccccc1C(=O)O[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 9/20 0.39
CFTR P13569 1/20 0.39
TSHR P16473 3/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
GLA P06280 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL78138 0.81 ALDH1A1 (0.56) RAB9AALDH1A1HSD17B10CFTRTSHR
Anthranilic Acid SCHEMBL79768 0.79 NAPRT (0.45) RAB9AALDH1A1HSD17B10CFTRKDM4E
Cinnamyl Anthranilate SCHEMBL27649621 0.73 ALDH1A1 (0.46) RAB9AALDH1A1HSD17B10TSHRKDM4E
SCHEMBL2865396 0.70 TSHR (0.43) RAB9AALDH1A1HSD17B10TSHRKDM4E
SCHEMBL28694280 0.67 ALDH1A1 (0.42) RAB9AALDH1A1HSD17B10CFTRTSHR
SCHEMBL4806613 0.66 MCL1 (0.48) ALDH1A1TSHRKDM4EHPGDAURKA
SCHEMBL6171195 0.66 PTPN2 (0.46) RAB9AALDH1A1HSD17B10TSHRKDM4E
SCHEMBL28254424 0.66 TSHR (0.57) RAB9AALDH1A1HSD17B10TSHRKDM4E
Acetic Acid SCHEMBL9900421 0.66 MCL1 (0.42) RAB9AALDH1A1TSHRKDM4EHPGD
Carbamic Acid Phenyl Ester SCHEMBL7135432 0.65 MEN1 (0.43) RAB9AALDH1A1HSD17B10HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US disclosed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US disclosed
CN-1946716-B Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2011-12-21 CN disclosed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US disclosed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US disclosed
US-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US disclosed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP disclosed
CN-1946716-A Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH CORP (US) 2007-04-11 CN disclosed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 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-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH RAB9A 1264/4885ALDH1A1 1095/4885HSD17B10 1899/4885
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB RAB9A 960/4885ALDH1A1 1061/4885HSD17B10 2127/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB RAB9A 953/4885ALDH1A1 1083/4885HSD17B10 2116/4885

“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.