Sugi Predict

Sugi Predict / Compounds / SCHEMBL708285

SCHEMBL708285

SCHEMBL708285

c1ccc(-c2ccc(-c3cnc4ccccc4n3)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.72
▸ RAB9A P51151 8/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.72
▸ BCHE P06276 1/20 0.72
▸ MAPT P10636 5/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ TLR9 Q9NR96 1/20 0.61
▸ PDGFRB P09619 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ FLT3 P36888 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ GLA P06280 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 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
SCHEMBL24596471 1.00 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL87505 0.96 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29371290 0.96 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
Water SCHEMBL27478798 0.94 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEMAPT
Water SCHEMBL5134592 0.94 NPC1 (0.69) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL4954320 0.94 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL24596469 0.93 NPC1 (0.64) NPC1RAB9ASMN1; SMN2BCHEMAPT
Methylamine SCHEMBL27992977 0.90 NPC1 (0.65) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL12146690 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL12146687 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2BCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102276539-B Bacteriostatic compound and preparation method thereof ZHAO XUEMEI 2013-08-14 — — CN claimed
CN-102276539-A Bacteriostatic compound and preparation method thereof XUEMEI ZHAO 2011-12-14 — — CN claimed
US-20220216433-A1 ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-07-07 — — US disclosed
EP-2694116-B1 LIPID-BASED NANOPARTICLES UNIV TEXAS (US) 2018-06-13 — — EP disclosed
EP-3305792-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2018-04-11 — — EP disclosed
US-20180043039-A1 Lipid-Based Nanoparticles BOARD OF REGENTS OF THE UNIV OF HOUSTON SYSTEM (US) 2018-02-15 — — US disclosed
US-20180043039-A1 Lipid-Based Nanoparticles BOARD OF REGENTS OF THE UNIV OF HOUSTON SYSTEM (US) 2018-02-15 — — US disclosed
US-9801957-B2 Lipid-based nanoparticles Alzeca Biosciences, LLC 2017-10-31 — — US disclosed
US-9801957-B2 Lipid-based nanoparticles Alzeca Biosciences, LLC 2017-10-31 — — US disclosed
CN-102276539-B Bacteriostatic compound and preparation method thereof ZHAO XUEMEI 2013-08-14 — — CN disclosed
US-20120258044-A1 LIPID-BASED NANOPARTICLES Alzeca Biosciences, LLC 2012-10-11 — — US disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 — — US disclosed
CN-102276539-A Bacteriostatic compound and preparation method thereof XUEMEI ZHAO 2011-12-14 — — CN disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 — — US disclosed
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 — — EP disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 — — US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 — — US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 — — US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 — — 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 (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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885SMN1; SMN2 1814/4885
US-20220216433-A1 ELECTROLUMINESCENT DEVICE EML4, EMC2, L1CAM NPC1 3839/4885RAB9A 1587/4885SMN1; SMN2 3226/4885
US-20120258044-A1 LIPID-BASED NANOPARTICLES APP, PSEN1, PSEN2 NPC1 30/4885RAB9A 798/4885SMN1; SMN2 3048/4885
US-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 NPC1 35/4885RAB9A 3868/4885SMN1; SMN2 2752/4885
US-20180043039-A1 Lipid-Based Nanoparticles APP, PSEN1, PSEN2 NPC1 30/4885RAB9A 798/4885SMN1; SMN2 3048/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885SMN1; SMN2 1978/4885

“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.