SCHEMBL3364893

SCHEMBL3364893

COC(=O)c1c2cccc(-c3ccc(Oc4ccccc4)cc3)c2nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ELANE P08246 2/20 0.38
SCN9A Q15858 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GSTP1 P09211 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
SCN4A P35499 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL3368049 0.89 DHODH (0.41) HSP90AA1HSP90AB1SCN9AGSTP1SCN4A
SCHEMBL3364448 0.86 BRD4 (0.47) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H
SCHEMBL3364994 0.82 BRD4 (0.46) SMN1; SMN2HPGDALDH1A1HSP90AA1HSP90AB1
SCHEMBL3364683 0.82 TP53 (0.40) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H
SCHEMBL3364363 0.82 HSP90AA1 (0.41) SMN1; SMN2HSP90AA1HSP90AB1SCN9AGSTP1
SCHEMBL3364428 0.80 GABRG2 (0.41) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H
SCHEMBL8296174 0.79 ALDH1A1 (0.43) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H
SCHEMBL3364407 0.79 HSD17B10 (0.44) SMN1; SMN2HPGDALDH1A1ELANEGABRG2
SCHEMBL3367735 0.78 KDM4E (0.42) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H
SCHEMBL3364253 0.78 NR4A2 (0.41) SMN1; SMN2HPGDALDH1A1PABPC1EIF4H

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 8 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
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 SMN1; SMN2 3220/4885HPGD 719/4885ALDH1A1 536/4885

“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.