Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130743

SCHEMBL10130743

SCHEMBL10130743

CC(C)Cc1ccc(C(=O)Nc2ccccn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.69
▸ RAB9A P51151 9/20 0.69
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ F2 P00734 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CHRNB2 P17787 1/20 0.54
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CHRNA4 P43681 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ TP53 P04637 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ NAMPT P43490 1/20 0.53

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
SCHEMBL10162070 0.84 NPC1 (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL13514038 0.82 NPC1 (0.71) NPC1RAB9AMEN1KMT2AF2
SCHEMBL18398690 0.81 RAB9A (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL30038962 0.81 RAB9A (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL19860113 0.81 NPC1 (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL4507767 0.81 RAB9A (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL3151218 0.81 MAPK1 (0.76) RAB9AKDM4ENPSR1LMNASMN1; SMN2
Bromide SCHEMBL12078905 0.80 RAB9A (0.73) NPC1RAB9AMEN1KMT2AF2
Hydrochloric Acid SCHEMBL1566819 0.80 RAB9A (0.73) NPC1RAB9AMEN1KMT2AF2
SCHEMBL22535186 0.80 NPC1 (0.68) NPC1RAB9AMEN1KMT2AF2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 — — US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 — — US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 — — US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885MEN1 3878/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885MEN1 3878/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885MEN1 3878/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NPC1 77/4885RAB9A 94/4885MEN1 3930/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NPC1 53/4885RAB9A 1907/4885MEN1 3085/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 NPC1 735/4885RAB9A 730/4885MEN1 2940/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885MEN1 3878/4885

“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.