SCHEMBL3449478

SCHEMBL3449478

Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCN(N3CN4CN(C)C=C4C3=O)CC2)C(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CCR3 P51677 1/20 0.32
LMNA P02545 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3449911 0.92 CCR1 (0.38) EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL3450307 0.92 CCR1 (0.38) EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL3452171 0.86 CCR1 (0.35) EPHX2MAPTALDH1A1TSHRLMNA
SCHEMBL6015058 0.86 CCR1 (0.33)
SCHEMBL3449388 0.84 ALDH1A1 (0.34) EPHX2MAPTALDH1A1KDM4ELMNA
SCHEMBL3450736 0.84 CCR1 (0.33) EPHX2MAPTALDH1A1KMT2AMEN1
SCHEMBL3449697 0.83 CCR1 (0.33) EPHX2MAPTALDH1A1NPSR1KMT2A
SCHEMBL3448853 0.83 CCR1 (0.33) EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL3448226 0.82 EPHX2 (0.35) EPHX2MAPTALDH1A1TSHRLMNA
SCHEMBL3449894 0.82 ALDH1A1 (0.34) EPHX2MAPTALDH1A1TSHRLMNA

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 EPHX2 607/4885MAPT 4264/4885ALDH1A1 3712/4885

“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.