SCHEMBL9831572

SCHEMBL9831572

Cc1ccc(-c2nc(N)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SREBF2 Q12772 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.50
LTA4H P09960 1/20 0.49
LMNA P02545 3/20 0.48
TLR7 Q9NYK1 1/20 0.42
SREBF1 P36956 1/20 0.42
MAPT P10636 4/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL20390901 0.83 CYP19A1 (0.47) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL13622940 0.81 RAB9A (0.58) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL9831216 0.80 GFER (0.58) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL20390377 0.80 GFER (0.37) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL20390848 0.80 GFER (0.37) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL13145486 0.80 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL9830768 0.79 NPC1 (0.53) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL9830921 0.79 RAB9A (0.53) SMN1; SMN2RAB9ANPC1SREBF2KDM4E
SCHEMBL9830040 0.79 CDC25A (0.61) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL14315462 0.79 LTA4H (0.66) SMN1; SMN2RAB9ANPC1SREBF2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed
EP-0001727-B1 NEW DERIVATIVES OF 4-PHENYL-2-(2',2',2-TRICHLORETHOXYCARBOXAMIDO)-THIAZOLE USEFUL AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF THESE COMPOUNDS PIERRE FABRE S.A. (FR) 1981-11-11 EP disclosed
EP-0001727-A2 New derivatives of 4-phenyl-2-(2',2',2-trichlorethoxycarboxamido)-thiazole useful as medicaments, pharmaceutical compositions containing them and process for the preparation of these compounds PIERRE FABRE S.A. (FR) 1979-05-02 EP 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 (6 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 SMN1; SMN2 3161/4885RAB9A 1422/4885NPC1 96/4885
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 SMN1; SMN2 4164/4885RAB9A 157/4885NPC1 679/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 SMN1; SMN2 3161/4885RAB9A 1422/4885NPC1 96/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 SMN1; SMN2 3004/4885RAB9A 1271/4885NPC1 90/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 SMN1; SMN2 4164/4885RAB9A 157/4885NPC1 679/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 SMN1; SMN2 3161/4885RAB9A 1422/4885NPC1 96/4885

“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.