SCHEMBL3406380

SCHEMBL3406380

Nc1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.79
RAB9A P51151 4/20 0.75
KDM4E B2RXH2 3/20 0.75
TSHR P16473 2/20 0.75
MAPT P10636 7/20 0.68
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP2D6 P10635 1/20 0.51
TP53 P04637 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47

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
SCHEMBL1527750 1.00 CYP2C19 (0.79) CYP2C19RAB9AKDM4ETSHRMAPT
SCHEMBL886903 0.98 CYP2C19 (0.76) CYP2C19RAB9AKDM4ETSHRMAPT
SCHEMBL886901 0.98 CYP2C19 (0.76) CYP2C19RAB9AKDM4ETSHRMAPT
SCHEMBL1133551 0.89 CYP2C19 (1.00) CYP2C19RAB9AKDM4ETSHRMAPT
SCHEMBL31707405 0.89 CYP2C19 (1.00) CYP2C19RAB9AKDM4ETSHRMAPT
Arsanilic Acid SCHEMBL160507 0.87 KDM4E (1.00) CYP2C19RAB9AKDM4ETSHRMAPT
Arsanilic Acid SCHEMBL4837583 0.87 KDM4E (1.00) CYP2C19RAB9AKDM4ETSHRMAPT
Arsanilic Acid SCHEMBL5051668 0.84 KDM4E (0.95) CYP2C19RAB9AKDM4ETSHRMAPT
Arsanilic Acid SCHEMBL31473003 0.84 TSHR (0.95) CYP2C19RAB9AKDM4ETSHRMAPT
SCHEMBL886902 0.82 CYP2C19 (0.53) CYP2C19RAB9AKDM4ETSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2255175-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES Morpho Detection, Inc. (US) 2010-12-01 EP disclosed
WO-2009102598-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GENERAL ELECTRIC COMPANY (US) 2009-08-20 WO disclosed
EP-1776125-A2 FUNCTIONALIZED SINGLE WALLED CARBON NANOTUBES HYPERION CATALYSIS INTERNATIONAL, INC. (US) 2007-04-25 EP disclosed
WO-2006130150-A2 FUNCTIONALIZED SINGLE WALLED CARBON NANOTUBES HYPERION CATALYSIS INTERNATIONAL, INC. (US) 2006-12-07 WO disclosed
EP-0910340-A4 FUNCTIONALIZED NANOTUBES HYPERION CATALYSIS INT (US) 2004-11-17 EP disclosed
US-20040202603-A1 graphitic nanotubes substituted with chemical moieties or upon which certain cyclic compounds are adsorbed; complex structures comprised of such functionalized fibrils linked to one another; introducing functional groups onto the surface of such fibrils HYPERION CATALYSIS INTERNATIONAL, INC. 2004-10-14 US disclosed
WO-2004066959-A2 ORGANIC-ARSONIC COMPOUNDS PARKER HUGHES INSTITUTE (US) 2004-08-12 WO disclosed
US-6686344-B1 TREATING CANCER, TUMORS PAKER HUGHES INSTITUTE 2004-02-03 US disclosed
EP-0910340-A1 FUNCTIONALIZED NANOTUBES HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1999-04-28 EP disclosed
WO-1997032571-A1 FUNCTIONALIZED NANOTUBES HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1997-09-12 WO 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 (1 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-20040202603-A1 graphitic nanotubes substituted with chemical moieties or upon which certain cyclic compounds are adsorbed; complex structures comprised of such functionalized fibrils linked to one another; introducing functional groups onto the surface of such fibrils FSCN1, CYCS, TUBA3C CYP2C19 2370/4885RAB9A 3452/4885KDM4E 3183/4885

“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.