SCHEMBL2931945

SCHEMBL2931945

O=Cc1ccc(OCc2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 1/20 0.53
CCR3 P51677 1/20 0.50
ATM Q13315 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CCR5 P51681 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL24234734 0.88 MEN1 (0.69) MEN1KMT2APOLBCCR3
SCHEMBL2928206 0.82 DRD4 (0.48) MEN1KMT2AALDH1A1CCR5KDM4E
SCHEMBL2932522 0.79 CYP2C9 (0.55) MEN1KMT2AGAAHTT
SCHEMBL2933029 0.77 ADAMTS5 (0.68)
SCHEMBL24234720 0.76 MEN1 (0.53) MEN1KMT2APOLB
SCHEMBL978216 0.76 MAOA (0.60) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL1897186 0.74 MAOA (0.59) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL7401534 0.73 TMEM97 (0.71) MEN1KMT2AALDH1A1KDM4E
SCHEMBL2932209 0.73 MAOA (0.57) KMT2APOLBALDH1A1KDM4EMAPT
SCHEMBL7924050 0.73 MEN1 (0.50) MEN1KMT2APOLBCCR3ATM

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
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
US-6740670-B2 SUCH AS 5-(((3-(N-METHYL-N-PHENYLAMINO)CARBONYL-4-(PHENYL-METHOXY)) -PHENYL)METHYLENE)-4-OXO-2-THIOXO-3-THIAZOLIDINE-ACETIC ACID OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-05-25 US disclosed
US-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-11-20 US disclosed
EP-1313731-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002022612-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-21 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-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent CYP3A7, TAS2R7, OXSR1 MEN1 1832/4885KMT2A 2946/4885POLB 4579/4885

“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.