SCHEMBL406455

SCHEMBL406455

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP3A4 P08684 2/20 0.56
KAT2B Q92831 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
ACHE P22303 3/20 0.40
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31239069 0.86 TSHR (0.56) TSHRCYP3A4KAT2BALDH1A1CYP1A2
SCHEMBL4387980 0.86 TSHR (0.56) TSHRCYP3A4KAT2BALDH1A1CYP1A2
SCHEMBL7193090 0.82 TSHR (0.64) TSHRCYP3A4KAT2BALDH1A1CYP1A2
SCHEMBL27599498 0.80 TSHR (0.62) TSHRCYP3A4KAT2BALDH1A1LMNA
SCHEMBL405343 0.79 ACHE (0.40) TSHRCYP3A4ALDH1A1ACHEMEN1
SCHEMBL405093 0.79 TSHR (0.55) TSHRALDH1A1LMNAMAPTMEN1
SCHEMBL4647436 0.79 ATM (0.55) TSHRALDH1A1MAPTKMT2A
SCHEMBL3118876 0.79 TSHR (0.51) TSHRCYP3A4KAT2BALDH1A1CYP1A2
SCHEMBL16094926 0.79 ALDH1A1 (0.46) CYP3A4ALDH1A1LMNAMAPTMEN1
SCHEMBL68019 0.79 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1MAPT

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
WO-2023180237-A1 METHOD AND COMPOUND ATDBio Limited (GB) 2023-09-28 WO disclosed
WO-2023099471-A1 METHOD FOR PRODUCING POLYNUCLEOTIDES ATDBio Limited (GB) 2023-06-08 WO disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-1866645-A2 ELECTROCHEMICAL ASSAY Inverness Medical Switzerland GmbH (CH) 2007-12-19 EP disclosed
WO-2006103450-A2 ELECTROCHEMICAL ASSAY INVERNESS MEDICAL SWITZERLAND GMBH (CH) 2006-10-05 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 (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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885CYP3A4 2376/4885KAT2B 979/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885CYP3A4 2376/4885KAT2B 979/4885

“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.