SCHEMBL5374989

SCHEMBL5374989

O=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NR4A2 P43354 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5375510 0.93 HRH3 (0.50) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL5376202 0.93 P4HTM (0.48) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL4658615 0.91 P4HTM (0.50) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL5379438 0.90 LMNA (0.48) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL5392310 0.89 MMP1 (0.47) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL5379659 0.89 EGFR (0.44) HRH3MEN1KMT2AKDM4CP4HTM
SCHEMBL5381466 0.84 MAPK1 (0.46) HRH3MEN1KMT2AP4HTMMMP1
SCHEMBL14400076 0.84 HRH3 (0.44) HRH3KMT2AKDM4CCYP4F2CYP4A11
SCHEMBL21840806 0.81 HRH3 (0.60) HRH3MEN1KMT2AKDM4CMMP2
SCHEMBL30438225 0.81 HRH3 (0.60) HRH3MEN1KMT2AKDM4CMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 US disclosed
US-7288545-B2 Piperazinedione compounds ANGIORX CORPORATION (TW) 2007-10-30 US disclosed
US-20040132738-A1 Piperazinedione compounds ANGIORX CORPORATION (TW) 2004-07-08 US 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-20040132738-A1 Piperazinedione compounds CBR1, KDR, FLT1 HRH3 549/4885MEN1 4806/4885KMT2A 2913/4885

“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.