SCHEMBL4558503

SCHEMBL4558503

COC(=O)C(Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
CYP1A2 P05177 4/20 0.56
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KCNH2 Q12809 3/20 0.44
ABCC4 O15439 2/20 0.44
CACNA1F O60840 2/20 0.44
ABCB11 O95342 2/20 0.44
LMNA P02545 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
OPRM1 P35372 2/20 0.44
SCN1A P35498 2/20 0.44
HTR2B P41595 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNA1S Q13698 2/20 0.44

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
SCHEMBL29923915 0.84 ALDH1A1 (1.00) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL12788041 0.84 ALDH1A1 (1.00) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL8330910 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL2634390 0.83 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL27379522 0.83 ALDH1A1 (0.97) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL38657948 0.83 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL2353735 0.83 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL28254105 0.81 ALDH1A1 (0.72) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL11276948 0.81 KMT2A (0.50) ALDH1A1TSHRMAPTLMNAKMT2A
SCHEMBL3990265 0.80 CYP1A2 (0.73) ALDH1A1CYP1A2TSHRMAPTTDP1

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
US-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2009-12-10 US disclosed
WO-2007103539-A2 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2007-09-13 WO disclosed
US-5998580-A PROVIDING AN AMINO ACID INCLUDING A PHOTOLABILE MOLECULE AND INCORPORATING THE AMINO ACID INTO A PEPTIDE DURING SYNTHESIS, WHEREIN INCORPORATION OF THE AMINO ACID INTO THE PEPTIDE PRODUCES A PHOTOSENSITIVE PEPTIDE NATIONAL INSTITUTES OF HEALTH, THE 1999-12-07 US disclosed
WO-1997013782-A1 PHOTOSENSITIVE CAGED MACROMOLECULES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-04-17 WO disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 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-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE ILK, ECPAS, STUB1 ALDH1A1 3671/4885CYP1A2 4449/4885TSHR 4694/4885

“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.