SCHEMBL2441925

SCHEMBL2441925

Cc1ccc(CC[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.40
FBP1 P09467 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 2/20 0.39
KCNJ1 P48048 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 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
SCHEMBL17541809 0.89 TSHR (0.46) CYP1A2ALDH1A1TSHRKCNH2KCNJ1
SCHEMBL904232 0.88 ALDH1A1 (0.43) ACHEHSD17B10CYP1A2CYP2A6TAAR1
SCHEMBL9356418 0.88 IGF1R (0.47) ACHEHSD17B10CYP1A2CYP2A6TAAR1
SCHEMBL19396020 0.83 TAAR1 (0.46) TAAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL19396004 0.83 CA2 (0.48) ALDH1A1TSHRKCNH2KCNJ1CNR2
SCHEMBL509775 0.79 ALDH1A1 (0.52) ACHEHSD17B10ALDH1A1LMNAKCNH2
SCHEMBL4543334 0.78 ESR1 (0.54) ACHEHSD17B10TAAR1ALDH1A1KMT2A
SCHEMBL12708608 0.78 TSHR (0.48) CYP1A2ALDH1A1TSHRIDO1KCNH2
SCHEMBL2440720 0.78 CYP1A2 (0.47) CYP1A2TAAR1ALDH1A1MEN1KMT2A
SCHEMBL188308 0.78 TSHR (0.64) ALDH1A1TSHRIDO1KCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 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-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 ACHE 1165/4885HSD17B10 516/4885CYP1A2 4/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 ACHE 1165/4885HSD17B10 516/4885CYP1A2 4/4885

“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.