SCHEMBL3590495

SCHEMBL3590495

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PIN1 Q13526 7/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28818247 0.85 TDP1 (0.41) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL25334109 0.81 CYP1A2 (0.41) TDP1MEN1KMT2ASMN1; SMN2PIN1
SCHEMBL18855622 0.81 PIN1 (0.40) TDP1SMN1; SMN2TSHRPIN1CRHBP
Formamide SCHEMBL8771746 0.78 PIN1 (0.35) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL23580618 0.77 TDP1 (0.41) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3581470 0.77 GPR35 (0.47) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL25337904 0.75 PIN1 (0.48) TDP1SMN1; SMN2PIN1ALDH1A1MAPT
SCHEMBL9149365 0.74 TDP1 (0.42) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL29863305 0.74 GPR35 (0.50) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL17364540 0.74 TDP1 (0.42) TDP1MEN1KMT2ASMN1; SMN2TSHR

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 TDP1 3248/4885MEN1 2718/4885KMT2A 3542/4885

“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.