SCHEMBL9548360

SCHEMBL9548360

CCOC(=O)C1=NOC(CBr)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MLYCD O95822 3/20 0.40
MIF P14174 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL892545 0.86 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL9296882 0.84 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL14261164 0.84 ALDH1A1 (0.53) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL892104 0.83 ALDH1A1 (0.58) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL17490886 0.81 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL7328179 0.81 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL7404921 0.80 ALDH1A1 (0.49) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL2438257 0.80 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL13282708 0.79 ALDH1A1 (0.43) ALDH1A1HTTL3MBTL1POLBCYP3A4
SCHEMBL10238668 0.79 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1POLBCYP3A4

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-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
WO-2008033513-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 WO disclosed
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP 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-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS ADRA1D, ADRA1A, ADRB1 ALDH1A1 85/4885HTT 4007/4885L3MBTL1 4663/4885

“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.