SCHEMBL3449116

SCHEMBL3449116

COc1ccc(NC(=O)NC(C(=O)N2CCC(N3CN4CN(C)C=C4C3=O)CC2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASR P41180 1/20 0.37
KCNH2 Q12809 1/20 0.37
FPR2 P25090 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3447659 0.93 CCR1 (0.39) ALDH1A1EPHX2KCNH2FPR2RAB9A
SCHEMBL3449332 0.91 CCR3 (0.38) MEN1KMT2ACCR3ALDH1A1EPHX2
SCHEMBL3450668 0.90 CCR1 (0.44) SMN1; SMN2EPHX2MAPTFPR2RAB9A
SCHEMBL3447685 0.90 FPR2 (0.45) MEN1KMT2AEPHX2FPR2
SCHEMBL3449677 0.90 CCR1 (0.44) SMN1; SMN2EPHX2MAPTFPR2RAB9A
SCHEMBL3452013 0.90 F10 (0.38) CCR3ALDH1A1EPHX2FPR2LMNA
SCHEMBL3451848 0.90 CCR1 (0.44) SMN1; SMN2EPHX2MAPTFPR2RAB9A
SCHEMBL3451846 0.89 EPHX2 (0.44) CCR3EPHX2
SCHEMBL3449248 0.89 FPR2 (0.43) MEN1KMT2AKDM4EMAPTCYP2D6
SCHEMBL3452485 0.88 FAAH (0.35) MEN1KMT2AALDH1A1EPHX2FPR2

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 MEN1 3128/4885KMT2A 2013/4885SMN1; SMN2 2927/4885

“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.