SCHEMBL3586602

SCHEMBL3586602

CC(C)c1ccccc1COc1ccncc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
MAOB P27338 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAPT P10636 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
SCHEMBL3577048 0.84 ALDH1A1 (0.49) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL3591203 0.81 ALDH1A1 (0.44) RAB9ANPC1KMT2APOLBGAA
SCHEMBL1936411 0.78 CYP11B1 (0.54) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL3488943 0.77 ALDH1A1 (0.50) RAB9ANPC1KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL3276016 0.76 ALDH1A1 (0.49) RAB9ANPC1KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL2967978 0.76 LMNA (0.49) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL3584296 0.76 MGMT (0.47) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL3585058 0.74 MGMT (0.52) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25431681 0.73 NPC1 (0.54) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26042865 0.72 ALDH1A1 (0.45) RAB9AKMT2APOLBGAASMN1; SMN2

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
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP 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
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 RAB9A 270/4885NPC1 3098/4885KMT2A 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.