Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483225

SCHEMBL4483225

SCHEMBL4483225

C/C(=C\C/C=C(\C)C(N)=O)C(N)=O.C=Cc1ccccc1C=C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HTT P42858 2/20 0.34
▸ CYP2C9 P11712 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GSR P00390 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL4483227 1.00 SLC9A1 (0.35) SLC9A1ALDH1A1KDM4EHTTCYP2C9
Acetamide SCHEMBL27724259 0.82 ALDH1A1 (0.44) SLC9A1ALDH1A1KDM4EHTTCYP2C9
SCHEMBL11175970 0.81 TDP1 (0.50) SLC9A1ALDH1A1KDM4EHTTCYP2C9
Benzene SCHEMBL6048409 0.79 TDP1 (0.35) ALDH1A1HTT
Urea SCHEMBL11175329 0.78 ALDH1A1 (0.48) SLC9A1ALDH1A1KDM4EHTTMAPT
Acetone SCHEMBL11802482 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP2C9CYP1A2MAPT
SCHEMBL59412 0.78 LMNA (0.39) LMNA
SCHEMBL59410 0.78 LMNA (0.39) LMNA
SCHEMBL31297142 0.77 AKR1C3 (0.43) ALDH1A1KDM4EHTTCYP2C9LMNA
SCHEMBL7064094 0.76 LMNA (0.37) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012831-A2 NANOGEL CONTRAST AGENTS FOR OPTICAL MOLECULAR IMAGING Carestream Health, Inc. (US) 2009-01-14 — — EP claimed
WO-2008036117-A2 NANOGEL CONTRAST AGENTS FOR OPTICAL MOLECULAR IMAGING CARESTREAM HEALTH, INC. (US) 2008-03-27 — — WO claimed
US-20070237821-A1 Nanogel-based contrast agents for optical molecular imaging EASTMAN KODAK COMPANY 2007-10-11 — — US claimed
EP-2012831-A2 NANOGEL CONTRAST AGENTS FOR OPTICAL MOLECULAR IMAGING Carestream Health, Inc. (US) 2009-01-14 — — EP disclosed
WO-2008036117-A2 NANOGEL CONTRAST AGENTS FOR OPTICAL MOLECULAR IMAGING CARESTREAM HEALTH, INC. (US) 2008-03-27 — — WO disclosed
US-20070237821-A1 Nanogel-based contrast agents for optical molecular imaging EASTMAN KODAK COMPANY 2007-10-11 — — US disclosed
EP-0838487-A2 Polyether copolymer and polymer solid electrolyte DAISO CO., LTD. (JP) 1998-04-29 — — 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-20070237821-A1 Nanogel-based contrast agents for optical molecular imaging MSN, F12, ZYX SLC9A1 1481/4885ALDH1A1 1442/4885KDM4E 3973/4885

“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.