SCHEMBL2811602

SCHEMBL2811602

Cc1ccnc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
HPRT1 P00492 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.39
CYP17A1 P05093 1/20 0.38

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
SCHEMBL8662385 0.80 ABCC8 (0.43) ALDH1A1TDP1ABCC8KCNJ11KMT2A
SCHEMBL10415950 0.80 ABCC8 (0.47) ALDH1A1TDP1ABCC8KCNJ11HPRT1
SCHEMBL28687395 0.80 ABCC8 (0.40) ALDH1A1TDP1ABCC8KCNJ11HPRT1
SCHEMBL14330609 0.79 TSHR (0.42) ALDH1A1TDP1TSHRHPRT1KMT2A
SCHEMBL27872332 0.75 MAP2K1 (0.41) ALDH1A1ABCC8KCNJ11KMT2AMAPT
SCHEMBL30197316 0.74 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL843559 0.74 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL7814268 0.74 ALDH1A1 (0.64) ALDH1A1TDP1TSHRABCC8KCNJ11
SCHEMBL10814167 0.73 MAPT (0.57) ALDH1A1TDP1KMT2AMAPTHPGD
Ammonia Solution, Strong SCHEMBL27851817 0.73 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKMT2AMAPT

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
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
CN-101247808-A N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-08-20 CN disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 US disclosed
EP-1912644-A2 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007010138-A2 N(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 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-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 ALDH1A1 208/4885TDP1 3017/4885TSHR 1955/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 ALDH1A1 325/4885TDP1 2058/4885TSHR 1410/4885

“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.