SCHEMBL1922192

SCHEMBL1922192

C[SiH](C)C(C)(C)COCc1c(Br)cccc1N=C=S

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2C P18825 1/20 0.31
MAOA P21397 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
CCR2 P41597 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3415668 0.76 EED (0.33) TDP1
SCHEMBL1922494 0.75
SCHEMBL1922193 0.74 APLNR (0.35) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL16013129 0.71 TDP1 (0.35) ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10
SCHEMBL3408682 0.69 IDO1 (0.46) ALDH1A1POLB
SCHEMBL3411354 0.65
SCHEMBL722683 0.64 IDO1 (0.49) ALDH1A1MAOA
SCHEMBL19582889 0.63 MBOAT4 (0.33) MAOA
SCHEMBL22588550 0.63 APLNR (0.47) ALDH1A1ABCB11NR3C1CYP1A2CYP3A4
SCHEMBL481256 0.63 IDO1 (0.42) ALDH1A1HPGDMAOA

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-8044047-B2 5-substituted benzoxazines HOFFMAN-LA ROCHE INC. (US) 2011-10-25 US disclosed
EP-2328881-A1 5-SUBSTITUTED BENZOXAZINES F. Hoffmann-La Roche AG (CH) 2011-06-08 EP disclosed
WO-2010026112-A1 5-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HOFFMANN-LA ROCHE, INC. 2010-03-11 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-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 ALDH1A1 1885/4885ABCB11 761/4885NR3C1 480/4885

“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.