SCHEMBL2769090

SCHEMBL2769090

CC1c2ccc(F)cc2CCN1c1cnccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
HTT P42858 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 7/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2C P28335 2/20 0.33
S1PR1 P21453 1/20 0.33
HTR2A P28223 1/20 0.33
CYP11B1 P15538 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL3578625 0.92 RAB9A (0.39) RAB9AHTTALDH1A1MAPTTDP1
SCHEMBL1736577 0.79 MAPT (0.50) RAB9AHTTALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL27546424 0.73 MC4R (0.38) CYP11B1MTNR1B
SCHEMBL7837598 0.70 KDM4E (0.39) ALDH1A1HTR2ANOTUMMTNR1B
SCHEMBL27901787 0.70 CYP11B2 (0.35) GAACYP11B1NOTUMMTNR1B
SCHEMBL1737670 0.70 MAPT (0.50) RAB9AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL2771250 0.69 SCD (0.32) ALDH1A1NOTUM
SCHEMBL27901781 0.69 MAPT (0.35) RAB9AHTTALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL2768910 0.69 SCD (0.32) ALDH1A1
SCHEMBL27919506 0.67 CYP17A1 (0.45)

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-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP disclosed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP disclosed
EP-1805177-A4 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-07-29 EP disclosed
US-7541366-B2 Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2009-06-02 US disclosed
US-20070249658-A1 Pyrrolo[3,2-C]Pyridine Deriatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2007-10-25 US disclosed
EP-1805177-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-07-11 EP disclosed
WO-2006025715-A1 PYRROLO[3,2-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 (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-20070249658-A1 Pyrrolo[3,2-C]Pyridine Deriatives and Processes for the Preparation Thereof ATP6AP1, HPD, ATP6V1H RAB9A 240/4885HTT 567/4885ALDH1A1 1140/4885

“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.