SCHEMBL1916280

SCHEMBL1916280

C=C(C)c1ccc2c(c1)N(CC)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
NOTUM Q6P988 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6856816 0.91 HRH3 (0.47) ACHEHRH3MEN1ALDH1A1KMT2A
SCHEMBL5404613 0.81 ACHE (0.46) ACHEHTR2AHTR2CHTR2BCYP1A2
SCHEMBL27288985 0.80 ACHE (0.45) ACHEHTR2AHTR2CHTR2BCYP1A2
SCHEMBL13214309 0.78 XIAP (0.50) ACHEMEN1ALDH1A1KMT2AKDM4E
SCHEMBL93954 0.77 ESR1 (0.54) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL18593246 0.76 ACHE (0.49) ACHEHRH3MEN1KMT2AMAPT
SCHEMBL20195796 0.76 KMT2A (0.52) CYP1A2CYP2D6HRH3MEN1ALDH1A1
Hydrochloric Acid SCHEMBL11030093 0.76 ESR1 (0.52) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL12031043 0.75 ALDH1A1 (0.46) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL10230451 0.74 ACHE (0.45) ACHEHRH3MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374795-B1 Sulphonic acid derivatives of polycyclic dyes used for analytical applications ATTO TEC GMBH (DE) 2016-03-16 EP disclosed
US-9035042-B2 Sulfonamide derivatives of polycyclic dyes used for analytical applications ATTO-TEC GMBH (DE) 2015-05-19 US disclosed
US-8846924-B2 Sulfonamide derivatives of polycyclic dyes used for analytical applications ATTO-TEC GMBH (DE) 2014-09-30 US disclosed
EP-2332918-B1 Sulfonamide derivatives of polycyclic dyes for analytical applications ATTO TEC GMBH (DE) 2014-08-06 EP disclosed
US-8614317-B2 Sulfonamide derivatives of polycyclic dyes used for analytical applications ATTO-TEC GMBH (DE) 2013-12-24 US disclosed
EP-1648870-B1 SULFONIC ACID DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS ATTO TEC GMBH (DE) 2011-10-19 EP disclosed
EP-2374795-A1 Sulphonic acid derivatives of polycyclic dyes used for analytical applications ATTO-TEC GmbH (DE) 2011-10-12 EP disclosed
US-20110190486-A1 SULFONAMIDE DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS ATTO-TEC GMBH (DE) 2011-08-04 US disclosed
US-20110172420-A1 SULFONAMIDE DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS ATTO-TEC GMBH (DE) 2011-07-14 US disclosed
EP-2332918-A1 Sulfonamide derivatives of polycyclic dyes for analytical applications ATTO-TEC GmbH (DE) 2011-06-15 EP disclosed
US-20060179585-A1 Sulfonamide derviatives of polycyclic dyes used for analytical applications ATTO-TEC GMBH (DE) 2006-08-17 US disclosed
EP-1648870-A2 SULFONIC ACID DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS Atto-tec GmbH (DE) 2006-04-26 EP disclosed
WO-2005003086-A2 SULFONIC ACID DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS ATTO-TEC GMBH (DE) 2005-01-13 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 (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-20060179585-A1 Sulfonamide derviatives of polycyclic dyes used for analytical applications NQO2, SQOR, QDPR ACHE 1876/4885HTR2A 2606/4885HTR2C 2299/4885
US-20110172420-A1 SULFONAMIDE DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS NQO2, SQOR, STS ACHE 1869/4885HTR2A 2928/4885HTR2C 2468/4885
US-20110190486-A1 SULFONAMIDE DERIVATIVES OF POLYCYCLIC DYES USED FOR ANALYTICAL APPLICATIONS NQO2, SQOR, STS ACHE 1869/4885HTR2A 2928/4885HTR2C 2468/4885

“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.