SCHEMBL3364407

SCHEMBL3364407

COC(=O)c1c2cccc(-c3cccc(C)c3)c2nn1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ELANE P08246 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA2 P47869 1/20 0.42
CHRM3 P20309 6/20 0.41
ENPP1 P22413 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPK8 P45983 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
SCHEMBL3364428 0.91 GABRG2 (0.41) HSD17B10ELANEF2PLAUGABRG2
SCHEMBL3364994 0.87 BRD4 (0.46) HSD17B10ELANEKMT2AALDH1A1HPGD
SCHEMBL3365166 0.86 GABRG2 (0.42) GABRG2GABRB3GABRA2ENPP1KMT2A
SCHEMBL3364346 0.81 GABRG2 (0.43) HSD17B10ELANEF2PLAUGABRG2
SCHEMBL3367735 0.80 KDM4E (0.42) HSD17B10ELANEPLAUENPP1KMT2A
SCHEMBL3364683 0.80 TP53 (0.40) HSD17B10KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL3364253 0.80 NR4A2 (0.41) HSD17B10ELANEKMT2AALDH1A1L3MBTL1
SCHEMBL3364893 0.79 SMN1; SMN2 (0.40) HSD17B10ELANEF2PLAUGABRG2
SCHEMBL8296174 0.79 ALDH1A1 (0.43) HSD17B10ELANEF2PLAUKMT2A
SCHEMBL3364109 0.77 GABRG2 (0.41) GABRG2GABRB3GABRA2CHRM3ALDH1A1

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
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 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-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 HSD17B10 920/4885ELANE 4880/4885F2 539/4885

“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.