SCHEMBL3573169

SCHEMBL3573169

ClCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.63
HRH4 Q9H3N8 1/20 0.44
DUT P33316 2/20 0.41
TK2 O00142 8/20 0.39
TSHR P16473 3/20 0.39
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A1 P30531 1/20 0.38
TK1 P04183 1/20 0.38
MAPK1 P28482 1/20 0.34
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14578023 0.88 KIF11 (0.55) KIF11HRH4DUTTK2TSHR
SCHEMBL5282316 0.87 KIF11 (0.59) KIF11HRH4DUTTK2TSHR
SCHEMBL9215766 0.86 KIF11 (0.49) KIF11SLC6A1
SCHEMBL11275984 0.85 KIF11 (0.74) KIF11HRH4DUTTK2TSHR
SCHEMBL9637348 0.84 KIF11 (0.55) KIF11HRH4DUTTK2TSHR
SCHEMBL28093026 0.81 KIF11 (0.56) KIF11HRH4DUTTK2TSHR
SCHEMBL9215761 0.79 KIF11 (0.42) KIF11SLC6A1ALDH1A1
SCHEMBL31430932 0.79 KIF11 (0.65) KIF11HRH4DUTTK2TSHR
SCHEMBL2348691 0.79 KIF11 (0.65) KIF11HRH4DUTTK2TSHR
Phosphine SCHEMBL8595812 0.79 KIF11 (0.54) KIF11HRH4DUTTK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807827-B2 Procedure for preparing 11-(4-[2-(2-hydroxyethoxy)ethyl]-1-piperazineyl)-dibenzo[b,f] [1,4]thiazepine INKE, S.A. (ES) 2010-10-05 US disclosed
EP-1660468-B1 PROCEDURE FOR PREPARING 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPINE INKE SA (ES) 2007-07-18 EP disclosed
US-20060189594-A1 Procedure for preparing a pharmaceutically active compound INKE, S.A. (ES) 2006-08-24 US disclosed
EP-1660468-A2 PROCEDURE FOR PREPARING 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPINE INKE, S.A. (ES) 2006-05-31 EP disclosed
WO-2005014590-A2 PROCEDURE FOR PREPARING 11-(4`2-(2-HYDROXYETHOXY )ETHYL!-1-PIPERAZINYL!-DIBENZO`B,F!`1,4!THIAZEPINE INKE, S.A. (ES) 2005-02-17 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-20060189594-A1 Procedure for preparing a pharmaceutically active compound CYP3A5, CYP2C19, CYP3A7 KIF11 3148/4885HRH4 3158/4885DUT 1816/4885

“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.