SCHEMBL6045602

SCHEMBL6045602

Cc1csc(C2(N(C(=O)COC(=O)C(=O)OCC(=O)N(c3ccccc3)C3(c4nc(C)cs4)CCN(Cc4ccccc4C(F)(F)F)CC3)c3ccccc3)CCN(Cc3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
ATM Q13315 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
POLB P06746 3/20 0.41
PHGDH O43175 1/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 3/20 0.37
MAPT P10636 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
SCHEMBL6045483 0.88 KDM4E (0.47) KDM4EALDH1A1ATMTDP1NPSR1
Oxalic Acid SCHEMBL6045600 0.87 KDM4E (0.50) KDM4EALDH1A1ATMTDP1NPSR1
SCHEMBL6045534 0.87 CYP2D6 (0.41) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL6045579 0.85 OPRL1 (0.40) KDM4EALDH1A1NPSR1GAAMEN1
SCHEMBL6045616 0.85 KDM4E (0.42) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL6045740 0.85 CACNA1G (0.37) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6045594 0.84 MEN1 (0.34) ALDH1A1NPSR1MEN1KMT2AMAPK1
SCHEMBL6045735 0.83 KDM4E (0.38) KDM4EALDH1A1TDP1NPSR1POLB
SCHEMBL6045588 0.82 OPRM1 (0.47) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL6045712 0.82 KDM4E (0.36) KDM4EMEN1KMT2AKCNH2

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR KDM4E 3254/4885ALDH1A1 4220/4885ATM 3480/4885

“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.