SCHEMBL2947550

SCHEMBL2947550

CCc1cc(I)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ P2RY6 Q15077 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ GPR35 Q9HC97 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
SCHEMBL13344089 0.78 KAT2B (0.48) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL6830861 0.78 GPR35 (0.55) TSHRCYP3A4ALDH1A1MAPTPOLB
SCHEMBL7193090 0.78 TSHR (0.64) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL6840900 0.77 TSHR (0.56) TSHRCYP3A4ALDH1A1MAPTPOLB
Potassium Ion SCHEMBL10831637 0.77 TSHR (0.42) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL6902179 0.77 TSHR (0.42) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL29362511 0.77 TDP1 (0.60) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL4953327 0.77 BACE1 (0.50) TSHRCYP3A4PDK1ALDH1A1POLB
SCHEMBL310839 0.77 TDP1 (0.60) TSHRCYP3A4PDK1ALDH1A1MAPT
SCHEMBL2949639 0.77 TSHR (0.60) TSHRPDK1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 — — US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 — — US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 — — US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 — — US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 — — WO disclosed
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 — — US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 — — EP disclosed
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups NIGU CHEMIE GMBH (DE) 2002-10-10 — — US disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 — — EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 — — 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 (3 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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 TSHR 3311/4885CYP3A4 2086/4885PDK1 4013/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B TSHR 3296/4885CYP3A4 2112/4885PDK1 3890/4885
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 TSHR 1680/4885CYP3A4 3446/4885PDK1 4555/4885

“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.

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