SCHEMBL17273622

SCHEMBL17273622

CC(C)(C)NCC(O)c1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.50
LMNA P02545 2/20 0.50
ADRB2 P07550 6/20 0.49
ADRB1 P08588 4/20 0.47
CYP2D6 P10635 3/20 0.42
NFKB1 P19838 2/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL22481311 0.83 HIF1A (0.51) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL20819384 0.83 HIF1A (0.55) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL10841508 0.83 HIF1A (0.55) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL31291101 0.83 HIF1A (0.55) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL22481252 0.83 HIF1A (0.51) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL20819365 0.81 ADRB2 (0.52) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL10361058 0.81 LMNA (0.50) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL20819357 0.81 HIF1A (0.50) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL20819349 0.81 HIF1A (0.50) HIF1ALMNAADRB2ADRB1CYP2D6
SCHEMBL20819364 0.81 ADRB2 (0.52) HIF1ALMNAADRB2ADRB1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940024-B1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-12-05 EP disclosed
US-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 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 (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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 HIF1A 2318/4885LMNA 2519/4885ADRB2 1536/4885

“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.