SCHEMBL3449558

SCHEMBL3449558

CN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
CNR1 P21554 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3448784 0.91 EPHX2 (0.46) EPHX2CNR1NPC1RAB9AMAPT
SCHEMBL3450993 0.87 EPHX2 (0.45) EPHX2NPC1RAB9ALMNAHTT
SCHEMBL3448557 0.86 EPHX2 (0.42) EPHX2CNR1NPC1RAB9A
SCHEMBL3448929 0.84 EPHX2 (0.41) EPHX2LMNAMEN1ALDH1A1KMT2A
SCHEMBL3450156 0.83 CCR1 (0.45) EPHX2RAB9A
SCHEMBL3449256 0.83 EPHX2 (0.41) EPHX2CNR1MAPTLMNASMN1; SMN2
SCHEMBL3450219 0.82 CCR1 (0.42) EPHX2
SCHEMBL3451336 0.82 SMN1; SMN2 (0.34) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3450194 0.82 CCR1 (0.44) EPHX2RAB9A
SCHEMBL3450096 0.82 CCR1 (0.41) EPHX2CNR1NPC1RAB9ASMN1; SMN2

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 607/4885CNR1 264/4885NPC1 3304/4885

“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.