SCHEMBL2952889

SCHEMBL2952889

COc1ccc(-c2ccc([N+](=O)[O-])c(C(C)CO)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
ABCB11 O95342 1/20 0.40
RAF1 P04049 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
FBP1 P09467 1/20 0.40
ABCB1 P08183 1/20 0.40
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.39
MERTK Q12866 1/20 0.39
ALOX5 P09917 2/20 0.38
TP53 P04637 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
SCHEMBL19396234 0.88 HTR7 (0.44) HTR7SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2945535 0.85 CRHBP (0.46) LMNAMAPTALDH1A1ABCB1KMT2A
SCHEMBL2955736 0.82 CASR (0.39) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL15952829 0.77 VCAM1 (0.32) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL14829760 0.77 SRD5A2 (0.36) LMNAMAPTFBP1KMT2AAPP
SCHEMBL1663978 0.77 ALDH1A1 (0.54) HTR7SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14833071 0.77 CHEK1 (0.36) SMN1; SMN2LMNAMAPTALDH1A1MAPK1
SCHEMBL6834169 0.76 GPR35 (0.50) SMN1; SMN2MAPTALDH1A1HPGDMAPK1
SCHEMBL28874514 0.76 ALOX5 (0.57) HTR7SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18892611 0.76 TSHR (0.53) MAPTALDH1A1KMT2A

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 5 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

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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 HTR7 1527/4885SMN1; SMN2 2633/4885NPC1 4108/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B HTR7 1693/4885SMN1; SMN2 2967/4885NPC1 4179/4885

“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.