Sugi Predict

Sugi Predict / Compounds / SCHEMBL6355056

SCHEMBL6355056

SCHEMBL6355056

O=Cc1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.57
▸ ABAT P80404 1/20 0.57
▸ VCAM1 P19320 1/20 0.57
▸ ALDH3A1 P30838 2/20 0.53
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 7/20 0.49
▸ ALDH1A3 P47895 1/20 0.49
▸ XDH P47989 1/20 0.45
▸ LMNA P02545 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ TTR P02766 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SNCA P37840 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
SCHEMBL27780985 0.88 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL2924523 0.84 ALDH3A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL14548858 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL4575571 0.83 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL8759780 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL13269178 0.82 ALDH5A1 (0.53) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6045765 0.80 ALDH5A1 (0.54) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL27675203 0.79 ALDH3A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355401 0.79 CYP1A2 (0.65) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL14713516 0.78 TDP1 (0.52) ALDH1A1MAPTCYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050047976-A1 Method and apparatus for solid or solution phase reaction under ambient or inert conditions SENOMYX, INC. 2005-03-03 — — US disclosed
US-6642417-B2 Solid phase synthesis; libraries PHARMACOPEIA DRUG DISCOVERY, INC. 2003-11-04 — — US disclosed
WO-2002060585-A1 METHOD AND APPARATUS FOR SOLID OR SOLUTION PHASE REACTION UNDER AMBIENT OR INERT CONDITIONS SENOMYX, INC. (US) 2002-08-08 — — WO disclosed
US-6310244-B1 DEMONSTRATES THE ABILITY TO WITHSTAND MANY COMMON REACTION CONDITIONS AND YET IS CLEAVABLE UNDER RELATIVELY MILD CONDITIONS. PHARMACOPEIA, INC. 2001-10-30 — — US disclosed
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry PHARMACOPEIA, LLC 2001-09-27 — — US disclosed
WO-2000005197-A1 PHOTOCLEAVABLE AND ACID CLEAVABLE LINKERS FOR COMBINATORIAL CHEMISTRY PHARMACOPEIA, INC. (US) 2000-02-03 — — 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-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry CCNE1, CCNB1, CDK1 ALDH5A1 953/4885ABAT 2105/4885VCAM1 3591/4885

“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.