Sugi Predict

Sugi Predict / Compounds / SCHEMBL3424355

SCHEMBL3424355

SCHEMBL3424355

CN(C)C(CCC(Cc1ccccc1)(C(=O)c1ccc(NCCO)cc1)N(C)C)(Cc1ccccc1)C(=O)c1ccc(NCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MLYCD O95822 4/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ TMEM97 Q5BJF2 3/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN1A P35498 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
SCHEMBL238708 0.92 HDAC3 (0.39) RORCCA1CA2MLYCDHDAC3
SCHEMBL3421885 0.85 HDAC3 (0.38) RORCCA1CA2MLYCDHDAC3
SCHEMBL13342972 0.84 MLYCD (0.37) CA1CA2MLYCDHDAC3HDAC1
SCHEMBL3432895 0.81 ESRRG (0.35) RORCSIGMAR1MEN1LMNACYP3A4
SCHEMBL21883003 0.81 MAPT (0.36) CA2SIGMAR1MEN1LMNAALOX15
SCHEMBL8897911 0.79 CA1 (0.41) RORCCA1CA2MLYCDHDAC3
SCHEMBL21275941 0.79 MLYCD (0.42) MLYCDHDAC3HDAC1HDAC2NCOR2
SCHEMBL8174827 0.79 HDAC3 (0.37) RORCCA1CA2MLYCDHDAC3
SCHEMBL8180474 0.79 SIGMAR1 (0.39) RORCCA1CA2MLYCDHDAC3
SCHEMBL3425309 0.79 LMNA (0.33) MLYCDSIGMAR1LMNASCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664629-B1 Functionalised photoinitiators BASF SE (DE) 2014-11-12 — — EP disclosed
EP-2664629-B1 Functionalised photoinitiators BASF SE (DE) 2014-11-12 — — EP disclosed
EP-2664629-A1 Functionalised photoinitiators Ciba Holding Inc. (CH) 2013-11-20 — — EP disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 — — US disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 — — US disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 — — US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 — — US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 — — US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 — — US disclosed
EP-1711862-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2006-10-18 — — EP disclosed
WO-2005076074-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-08-18 — — WO 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-20080021126-A1 Functionalized Photoinitiators PPOX, TYR, CYP1A1 RORC 1868/4885CA1 3908/4885CA2 3857/4885

“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.