SCHEMBL13715411

SCHEMBL13715411

FCOc1cccc(CF)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAOB P27338 10/20 0.41
KCNH2 Q12809 1/20 0.40
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 1/20 0.37
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4737237 0.84 TP53 (0.45) MAOBALDH1A1SMN1; SMN2
SCHEMBL19375437 0.83 TSHR (0.53) BCHECYP4F2CYP4A11MAOBNR4A2
SCHEMBL10289884 0.83 KDM4E (0.53) BCHEMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2368219 0.83 MAOB (0.43) BCHECYP4F2CYP4A11MAOBKCNH2
SCHEMBL4121634 0.83 MAOB (0.49) MAOBTAAR1
SCHEMBL5666508 0.83 BCHE (0.40) BCHECYP4F2CYP4A11MAOBKCNH2
Hydrochloric Acid SCHEMBL25370652 0.82 MAOB (0.50) MAOBKCNH2TAAR1
Hydrochloric Acid SCHEMBL31173733 0.82 MAOB (0.50) MAOBKCNH2TAAR1
SCHEMBL3663796 0.80 CYP4F2 (0.45) BCHECYP4F2CYP4A11MAOBKCNH2
SCHEMBL15561594 0.80 MAOB (0.40) BCHECYP4F2CYP4A11MAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 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-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BCHE 72/4885CYP4F2 3888/4885CYP4A11 1316/4885

“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.