SCHEMBL3448457

SCHEMBL3448457

CN1C=C2C(=O)N(N3CCN(C(=O)C(NC(=O)O)c4cccs4)CC3)CN2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
GFER P55789 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 3/20 0.32
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3449142 0.86 HTT (0.40) NPSR1LMNAALDH1A1CYP2C9POLB
SCHEMBL3449960 0.84 GFER (0.34) NPSR1LMNAGFERALDH1A1CYP3A4
SCHEMBL6015041 0.78 CCR1 (0.38) LMNAALDH1A1TSHRHTTKMT2A
SCHEMBL6015058 0.77 CCR1 (0.33)
SCHEMBL6015137 0.77 KMT2A (0.46) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL3450745 0.76 CCR1 (0.37) LMNAMEN1KMT2A
SCHEMBL6015099 0.75 CHRM1 (0.41) ALDH1A1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL6015066 0.75 CHRM3 (0.37)
SCHEMBL3449902 0.75 CTSS (0.40) LMNAALDH1A1KMT2AMAPK1
SCHEMBL3448463 0.74

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-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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 NPSR1 600/4885LMNA 3232/4885GFER 329/4885

“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.