SCHEMBL1756403

SCHEMBL1756403

O=C(O)c1ccc(COc2ccc(-c3ccccc3)cc2Br)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HTT P42858 3/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3569627 0.85 NPC1 (0.73) POLBNPC1RAB9AMRGPRX4KMT2A
SCHEMBL1756442 0.80 POLB (0.73) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1756336 0.80 PTGER4 (0.70) POLBNPC1LMNATDP1L3MBTL1
SCHEMBL1756349 0.79 ABCC4 (0.58) RAB9AMRGPRX4SMN1; SMN2LMNAHTT
SCHEMBL3562732 0.79 NPC1 (0.69) POLBNPC1RAB9AMRGPRX4KMT2A
SCHEMBL322220 0.76 RAB9A (0.56) RAB9AMRGPRX4SMN1; SMN2TDP1L3MBTL1
SCHEMBL1756387 0.76 MRGPRX4 (0.73) NPC1RAB9AMRGPRX4KMT2AMEN1
SCHEMBL3571608 0.75 POLB (0.69) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL3708100 0.74 PKM (0.62) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL6815339 0.73 POLB (0.77) POLBNPC1RAB9AKMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039495-B2 Biphenyl carboxylic acids and bioisosteres as glycogen synthase activators HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
WO-2011067174-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US disclosed
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-02 US disclosed
US-7947728-B1 Indole and indazole analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-19 US disclosed
WO-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011058122-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011058154-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS YUN WEIYA 2011-05-19 US disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US disclosed
US-7939569-B1 Aniline analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-10 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 (7 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-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GSK3B POLB 2570/4885NPC1 2340/4885RAB9A 3745/4885
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL POLB 1431/4885NPC1 2219/4885RAB9A 2816/4885
US-20110118322-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL POLB 1451/4885NPC1 1924/4885RAB9A 2552/4885
US-20110130438-A1 ANILINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GYS1 POLB 761/4885NPC1 2526/4885RAB9A 3617/4885
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL POLB 1443/4885NPC1 2403/4885RAB9A 3432/4885
US-20110118314-A1 PIPERIDINE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL POLB 397/4885NPC1 2182/4885RAB9A 3166/4885
US-20110112147-A1 INDAZOLONE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL POLB 1854/4885NPC1 1493/4885RAB9A 3587/4885

“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.