SCHEMBL3301641

SCHEMBL3301641

CC(c1ccccc1)C(Br)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
EPHX1 P07099 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
CYP2D6 P10635 2/20 0.40
NOS2 P35228 1/20 0.40
SRC P12931 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8881340 0.83 CES2 (0.50) CES2CES1LMNAHIF1AKDM4E
SCHEMBL28281150 0.80 CES2 (0.47) ALOX5CES2CES1LMNAHIF1A
SCHEMBL28260719 0.79 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL341787 0.79 ALOX5 (0.50) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL7475015 0.79 ALOX5 (0.55) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL11566668 0.78 TDP1 (0.53) CES2CES1LMNAADRA2AHIF1A
SCHEMBL5221261 0.78 DPP4 (0.50) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL8376271 0.78 CYP2D6 (0.52) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL8178447 0.78 ALOX5 (0.48) ALOX5EPHX1TRPM8LMNAADRA2A
SCHEMBL13168073 0.77 KMT2A (0.58) CES2CES1LMNAAPAF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-08 US disclosed
US-8232267-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-07-31 US disclosed
US-20100093688-A1 Porphyrin catalysts and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed
WO-2008094222-A2 PORPHYRIN CATALYSTS AND METHODS OF USE THEREOF TRUSTEES OF PRINCETON (US) 2008-08-07 WO disclosed
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 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 (2 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-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof PPOX, POR, MPO ALOX5 1136/4885CES2 1196/4885CES1 1994/4885
US-20100093688-A1 Porphyrin catalysts and methods of use thereof PPOX, POR, MPO ALOX5 1136/4885CES2 1196/4885CES1 1994/4885

“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.