SCHEMBL6568006

SCHEMBL6568006

CCC(CC)NC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 4/20 0.43
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 3/20 0.43
KCNK2 O95069 2/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.40
C5 P01031 1/20 0.40
DHODH Q02127 1/20 0.40
ESRRA P11474 1/20 0.40

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
SCHEMBL6565938 0.86 CNR1 (0.44) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6568107 0.85 PKM (0.48) LMNAMEN1KMT2ASMN1; SMN2PKM
SCHEMBL6565854 0.84 KMT2A (0.46) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6564631 0.83 EPHX1 (0.47) C5ESRRA
SCHEMBL6564651 0.83 NPSR1 (0.46) KCNB1KCNA5KCNH2KCNK2LMNA
SCHEMBL6564429 0.82 KMT2A (0.49) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6567867 0.82 KMT2A (0.44) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6565928 0.82 MCHR1 (0.46) LMNAMEN1KMT2ASMN1; SMN2PKM
SCHEMBL6564786 0.82 KMT2A (0.61) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6567969 0.80 CASR (0.53) MEN1KMT2A

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 KCNB1 436/4885KCNA5 249/4885KCNH2 482/4885

“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.