SCHEMBL3581470

SCHEMBL3581470

Cc1ncc([N+](=O)[O-])c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.47
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CTSB P07858 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL25334906 0.81 GPR35 (0.44) GPR35ALDH1A1TDP1TSHRMEN1
SCHEMBL3590495 0.77 TDP1 (0.41) GPR35ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL25335381 0.75 CRHBP (0.49) GPR35ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL17364540 0.74 TDP1 (0.42) GPR35ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL21050866 0.74 CYP1A2 (0.38) GPR35ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL7463751 0.73 GPR35 (0.47) GPR35ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL28818247 0.73 TDP1 (0.41) GPR35ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL28488316 0.73 TDP1 (0.41) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL25795346 0.73 CYP1A2 (0.52) GPR35ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL9500870 0.73 GPR35 (0.68) GPR35ALDH1A1TDP1MEN1KMT2A

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
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
CN-101010321-B Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2011-10-26 CN disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
CN-101010321-A Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-01 CN disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX GPR35 4317/4885ALDH1A1 1933/4885TDP1 3248/4885

“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.