SCHEMBL3928426

SCHEMBL3928426

Cc1c(CC=O)sc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
MAPT P10636 3/20 0.36
TBXAS1 P24557 1/20 0.36
PFKFB3 Q16875 1/20 0.36
PFKFB4 Q16877 1/20 0.36
PTPN1 P18031 2/20 0.35
EPM2A O95278 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TP53 P04637 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PRNP P04156 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 3/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6984802 0.81 MAPT (0.54) CYP2A6MAPTTBXAS1PFKFB3PFKFB4
SCHEMBL6118386 0.77 ALDH1A1 (0.41) MAPTKMT2AMEN1PRNPSMN1; SMN2
SCHEMBL4655134 0.76 CYP2A6 (0.47) CYP2A6PFKFB3PFKFB4PTPN1EPM2A
SCHEMBL4654001 0.75 PIM1 (0.34) CYP2A6MAPTTBXAS1PFKFB3PFKFB4
SCHEMBL4939687 0.74 MCL1 (0.40) CYP2A6MAPTTBXAS1SMN1; SMN2LMNA
SCHEMBL4655071 0.74 MAPT (0.36) CYP2A6MAPTTBXAS1PFKFB3PFKFB4
SCHEMBL8110812 0.72 PFKFB3 (0.39) CYP2A6PFKFB3PFKFB4PTPN1EPM2A
SCHEMBL12431301 0.72 ROCK1 (0.44) CYP2A6PFKFB3PFKFB4PTPN1EPM2A
SCHEMBL10857945 0.72 CYP2A6 (0.42) CYP2A6PFKFB3PFKFB4PTPN1EPM2A
SCHEMBL4654028 0.72 PFKFB3 (0.38) MAPTTBXAS1PFKFB3PFKFB4PTPN1

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-2044061-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2009-04-08 EP disclosed
WO-2008011560-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE KAHRAMAN MEHMET (US) 2008-01-24 WO disclosed
US-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2008-01-24 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-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE RHOT2, ROCK2, ROCK1 CYP2A6 4122/4885MAPT 551/4885TBXAS1 338/4885

“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.