SCHEMBL7787664

SCHEMBL7787664

Nc1ccccc1N1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
KEAP1 Q14145 1/20 0.50
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ADRA2C P18825 1/20 0.43
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 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
SCHEMBL28834312 0.94 KEAP1 (0.53) HSD17B10KEAP1TP53ALDH1A1ADRA2C
SCHEMBL14495113 0.88 KEAP1 (0.48) HSD17B10KEAP1TP53ADRA2CHPGD
Hydrochloric Acid SCHEMBL27753268 0.81 HSD17B10 (0.54) HSD17B10TP53ALDH1A1CYP1A2CYP3A4
SCHEMBL5436101 0.79 ALOX5 (0.54) HSD17B10TP53ALDH1A1CYP1A2CYP2C9
SCHEMBL8902463 0.79 NPC1 (0.49) HSD17B10TP53ALDH1A1GFERCYP1A2
SCHEMBL22997585 0.79 HSD17B10 (0.44) HSD17B10TP53ALDH1A1GFERCYP1A2
SCHEMBL30157756 0.79 MEN1 (0.63) HSD17B10TP53ALDH1A1GFERALOX5AP
SCHEMBL3842955 0.79 HSD17B10 (0.44) HSD17B10TP53ALDH1A1GFERCYP1A2
SCHEMBL1901693 0.79 DDB1 (0.56) HSD17B10CYP3A4CYP2C9HPGDMEN1
SCHEMBL3770108 0.79 MEN1 (0.63) HSD17B10TP53ALDH1A1GFERALOX5AP

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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
EP-1147763-A1 Oxidative dyeing composition for keratinic fibres containing 1-(4-aminophenyl)-pyrrolidine and an enzymatic oxidation system L'OREAL (FR) 2001-10-24 EP disclosed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
US-4366158-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC BURROUGHS WELLCOME CO. (US) 1982-12-28 US 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A HSD17B10 192/4885KEAP1 2210/4885TP53 4705/4885

“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.