SCHEMBL5153241

SCHEMBL5153241

COc1ccc(-c2ccc(Br)c3sc(C=O)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRD1 P41143 2/20 0.36
ALKBH3 Q96Q83 1/20 0.36
PRF1 P14222 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.35
APP P05067 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
BACE1 P56817 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL5153435 0.76 NPC1 (0.50) SMN1; SMN2KDM4EOPRD1ALDH1A1CYP2A6
SCHEMBL5153758 0.72 PTGS2 (0.40) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12095390 0.69 CYP2A6 (0.33) CYP2A6PKM
SCHEMBL1980713 0.69 ABL1 (0.50) SMN1; SMN2KDM4EALDH1A1MAPTABL1
SCHEMBL18511396 0.68 CYP2A6 (0.37) KDM4EOPRD1ALDH1A1CYP2A6MAPT
SCHEMBL7777307 0.66 ABL1 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5150561 0.66 PTGS2 (0.40) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5153353 0.66 ALDH1A1 (0.42) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL7608939 0.66 ERN1 (0.58) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12566195 0.65 CYP1A1 (0.43) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US disclosed
EP-1633699-B1 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-01-03 EP disclosed
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US disclosed
EP-1633699-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-03-15 EP disclosed
US-20050009907-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-13 US disclosed
WO-2004103941-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-12-02 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 (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-20050009907-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRA SMN1; SMN2 3849/4885KDM4E 250/4885CYP1A2 123/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 SMN1; SMN2 3887/4885KDM4E 226/4885CYP1A2 103/4885

“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.