SCHEMBL5222945

SCHEMBL5222945

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
USP2 O75604 1/20 0.39
CFTR P13569 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
PAM P19021 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.33
GSK3B P49841 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
SCHEMBL27728842 0.83 HSP90AA1 (0.44) HSP90AA1USP2CFTRCA2CA4
SCHEMBL3115111 0.83 USP2 (0.47) HSP90AA1USP2CFTRCA2CA4
Bromide SCHEMBL5222954 0.82 USP2 (0.45) HSP90AA1USP2CFTRCA2CA4
SCHEMBL7281507 0.82 USP2 (0.45) HSP90AA1USP2CFTRCA2CA4
SCHEMBL7063121 0.80 HSP90AA1 (0.42) HSP90AA1USP2CFTRCA2CA4
Lithium Ion SCHEMBL7281502 0.78 HSP90AA1 (0.41) HSP90AA1USP2CFTRCA2CA4
SCHEMBL10538450 0.78 MAPT (0.48) HSP90AA1TSHRGAAALOX15MEN1
SCHEMBL27646839 0.78 HSP90AA1 (0.41) HSP90AA1USP2CFTRCA2CA4
SCHEMBL431068 0.78 HSP90AA1 (0.38) HSP90AA1USP2CFTRCA2CA4
SCHEMBL5593415 0.76 POLB (0.54) HSP90AA1TSHRMEN1KMT2AALDH1A1

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-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 HSP90AA1 3652/4885USP2 4752/4885CFTR 3904/4885

“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.