SCHEMBL6568022

SCHEMBL6568022

CCCN(CCC)C(=O)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.45
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 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
SCHEMBL6564738 0.91 CASR (0.44) CASRLMNAMEN1KMT2AMAPT
SCHEMBL6567065 0.89 CASR (0.43) CASRLMNAMEN1KMT2AMAPT
SCHEMBL6566999 0.84 CASR (0.41) CASRLMNAMEN1KMT2AMAPT
SCHEMBL6568097 0.84 CASR (0.54) CASRNPSR1LMNASMN1; SMN2KDM4E
SCHEMBL6566966 0.83 TP53 (0.43) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6566546 0.83 PDE4A (0.48) CASRNPSR1LMNAMEN1KMT2A
SCHEMBL6564496 0.82 CASR (0.50) CASRNPSR1LMNASMN1; SMN2KDM4E
SCHEMBL6566703 0.82 MEN1 (0.50) CASRNPSR1LMNAMEN1KMT2A
SCHEMBL6566982 0.82 MTOR (0.47) CASRCA12CA1CA2CA9
SCHEMBL6564786 0.81 KMT2A (0.61) CASRNPSR1LMNAMEN1KMT2A

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 CASR 1621/4885NPSR1 111/4885CA12 4703/4885

“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.