SCHEMBL1736150

SCHEMBL1736150

O=[N+]([O-])c1cccnc1COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.43
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
PKM P14618 2/20 0.41

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
SCHEMBL1738435 0.85 KMT2A (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8119167 0.80 RAB9A (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1736342 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL1738434 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1736581 0.78 HPGD (0.54) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL5797255 0.74 NPC1 (0.65) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL810027 0.74 TLR4 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8566533 0.73 ALDH1A1 (0.53) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL16857006 0.71 MEN1 (0.41) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL6836514 0.71 HSD17B10 (0.50) NPC1RAB9AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885SMN1; SMN2 3932/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885SMN1; SMN2 3932/4885

“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.