SCHEMBL3449487

SCHEMBL3449487

CN1C=C2C(=O)N(C3CCN(C(=O)[C@](Cc4ccc(OCc5ccccc5)cc4)(NC(=O)O)C(C)(C)C)CC3)CN2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
YAP1 P46937 5/20 0.36
SLC6A5 Q9Y345 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.34
CHRM4 P08173 1/20 0.34
LTA4H P09960 2/20 0.33
EGFR P00533 2/20 0.33

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
SCHEMBL3449171 0.92 CHRM1 (0.33) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3451164 0.84 ALDH1A1 (0.34) MAPTKDM4EALDH1A1
SCHEMBL6015050 0.79 YAP1 (0.45) YAP1
SCHEMBL3451298 0.77 CHRM1 (0.36) KMT2AALDH1A1LMNACHRM4
SCHEMBL3451771 0.77 TP53 (0.37) KMT2AKDM4ETP53
SCHEMBL950445 0.74 F10 (0.32)
SCHEMBL3450767 0.72 FPR2 (0.45) YAP1
SCHEMBL6015065 0.70 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3451041 0.70 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6014965 0.68 CCR1 (0.39) TP53

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 MAPT 4264/4885YAP1 1353/4885SLC6A5 3255/4885

“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.