SCHEMBL3094206

SCHEMBL3094206

CNC(=O)N1CCC(c2cc(-c3ccc(OC)c(F)c3)n(-c3ccc(OC)cc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ PTGS2 P35354 6/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ SCD O00767 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ RPA1 P27694 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL4946294 0.88 KDM1A (0.43) MALT1KDM1APTGS2PTGS1ABCB11
SCHEMBL3098004 0.86 HTT (0.53) ALDH1A1LMNATP53MAPT
SCHEMBL3105412 0.82 PTGS2 (0.46) KDM1APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3093713 0.79 PTGS2 (0.44) PTGS2PTGS1PDE4BMGLLKCNJ6
SCHEMBL3098825 0.78 PTGS2 (0.42) PTGS2PTGS1MGLLKCNJ6KCNJ3
SCHEMBL3097729 0.78 HTT (0.55) ALDH1A1PDE4BLMNATP53MAPT
SCHEMBL13157561 0.77 PTGS2 (0.42) MALT1PTGS2PTGS1MGLLKCNJ6
SCHEMBL3098736 0.77 HTT (0.54) ALDH1A1LMNATP53MAPT
SCHEMBL3100407 0.77 PTGS2 (0.50) MALT1PTGS2PTGS1MGLLKCNJ6
SCHEMBL13157631 0.76 PTGS2 (0.48) MALT1KDM1APTGS2PTGS1MGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MALT1 4787/4885KDM1A 3131/4885PTGS2 567/4885

“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.

Send feedback