SCHEMBL6745840

SCHEMBL6745840

O=C(O)NOCC(O)CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 8/20 0.47
CYP2D6 P10635 2/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
ATM Q13315 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5698940 0.85 MEN1 (0.52) MEN1KMT2AKDM4EABCB1CYP2D6
SCHEMBL7526130 0.81 ABCB1 (0.49) MEN1KMT2AKDM4EABCB1CYP2D6
SCHEMBL7530991 0.80 ABCB1 (0.48) MEN1KMT2AKDM4EABCB1CYP2D6
SCHEMBL6631200 0.79 ABCB1 (0.44) MEN1KMT2AKDM4EABCB1CYP2D6
SCHEMBL3073558 0.78 ABCB1 (0.60) KDM4EABCB1CYP2D6TSHRHIF1A
SCHEMBL3076619 0.77 ALDH1A1 (0.48) MEN1KMT2AKDM4EABCB1CYP2D6
Hydrochloric Acid SCHEMBL9329212 0.77 ABCB1 (0.59) KDM4EABCB1CYP2D6TSHRHIF1A
Hydrochloric Acid SCHEMBL7226297 0.77 ABCB1 (0.59) KDM4EABCB1CYP2D6TSHRHIF1A
SCHEMBL7523557 0.76 POLB (0.55) MEN1KMT2AKDM4EABCB1CYP2D6
Bromide SCHEMBL9327702 0.76 ABCB1 (0.58) KDM4EABCB1CYP2D6TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053990-A1 Radicicol derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 2004-03-18 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-20040053990-A1 Radicicol derivatives ROS1, LYN, SRC MEN1 3889/4885KMT2A 3585/4885KDM4E 1923/4885

“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.