SCHEMBL707730

SCHEMBL707730

Cc1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ATM Q13315 1/20 0.64
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
ADK P55263 1/20 0.52
GRM4 Q14833 3/20 0.49
FGF23 Q9GZV9 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NFE2L2 Q16236 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
GRM5 P41594 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL707731 1.00 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29419010 0.89 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28595722 0.89 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL709611 0.89 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL709612 0.89 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8787427 0.83 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30195162 0.83 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29389283 0.83 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL461985 0.83 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM
SCHEMBL461986 0.83 MEN1 (0.76) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
CN-116120224-A Synthesis method of chiral beta-aza-arene tertiary carbon center compound 河南工业大学 2023-05-16 CN disclosed
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-05-20 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 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 (5 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 4723/4885MEN1 3997/4885
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 NPC1 1094/4885RAB9A 1899/4885MEN1 2454/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 NPC1 1094/4885RAB9A 1899/4885MEN1 2454/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 NPC1 3368/4885RAB9A 3765/4885MEN1 2892/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 3163/4885

“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.