SCHEMBL3448784

SCHEMBL3448784

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CNR1 P21554 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3449558 0.91 EPHX2 (0.47) EPHX2CNR1SMN1; SMN2TP53MAPT
SCHEMBL3450993 0.85 EPHX2 (0.45) EPHX2LMNANPC1RAB9A
SCHEMBL3448557 0.84 EPHX2 (0.42) EPHX2CNR1NPC1RAB9A
SCHEMBL3448929 0.82 EPHX2 (0.41) EPHX2LMNA
SCHEMBL3450156 0.81 CCR1 (0.45) EPHX2RAB9A
SCHEMBL3449256 0.81 EPHX2 (0.41) EPHX2CNR1SMN1; SMN2MAPTLMNA
SCHEMBL3450219 0.81 CCR1 (0.42) EPHX2
SCHEMBL3450194 0.81 CCR1 (0.44) EPHX2RAB9A
SCHEMBL3450096 0.81 CCR1 (0.41) EPHX2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL3449233 0.80 CCR1 (0.54)

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 264/4885SMN1; 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.