Sugi Predict

Sugi Predict / Compounds / SCHEMBL427335

SCHEMBL427335

SCHEMBL427335

CCN(CC)C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.65
▸ CES2 O00748 1/20 0.65
▸ HSP90AA1 P07900 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ P2RY12 Q9H244 1/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ P2RX1 P51575 1/20 0.32

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
SCHEMBL424892 0.84 FAAH (0.61) FAAHCES2HSP90AA1LOXL2P2RY12
SCHEMBL427848 0.82 FAAH (0.64) FAAHCES2HSP90AA1LMNAP2RY12
SCHEMBL428158 0.82 FAAH (0.78) FAAHCES2HSP90AA1ALDH1A1MEN1
SCHEMBL426010 0.80 FAAH (0.98) FAAHCES2HSP90AA1ALDH1A1MEN1
SCHEMBL29683887 0.79 FAAH (1.00) FAAHCES2HSP90AA1ALDH1A1MEN1
SCHEMBL427970 0.79 FAAH (1.00) FAAHCES2HSP90AA1ALDH1A1MEN1
SCHEMBL427437 0.78 FAAH (0.83) FAAHCES2HSP90AA1LOXL2PDE4D
SCHEMBL426169 0.78 FAAH (0.75) FAAHCES2HSP90AA1
SCHEMBL425904 0.77 FAAH (0.66) FAAHCES2HSP90AA1LMNAALDH1A1
SCHEMBL426101 0.77 FAAH (0.81) FAAHCES2HSP90AA1PDE4DRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 — — EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 — — US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 — — US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — 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 (2 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 FAAH 2166/4885CES2 463/4885HSP90AA1 4644/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885HSP90AA1 1590/4885

“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.