SCHEMBL7207554

SCHEMBL7207554

COc1ccc(C(=O)NCCN)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
NFKB1 P19838 2/20 0.62
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
MAOB P27338 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
PKM P14618 1/20 0.59
ALDH1A1 P00352 4/20 0.58
POLB P06746 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PLK1 P53350 1/20 0.58

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
Hydrochloric Acid SCHEMBL9584772 0.98 NPC1 (0.71) NPC1RAB9ACA1CA2NFKB1
SCHEMBL31493853 0.91 NPC1 (0.69) NPC1RAB9ACA1CA2NFKB1
SCHEMBL16301502 0.90 NPC1 (0.79) NPC1RAB9ACA1CA2NFKB1
SCHEMBL16685001 0.89 NPC1 (0.83) NPC1RAB9ACA1CA2NFKB1
SCHEMBL15923499 0.87 NPC1 (0.85) NPC1RAB9ACA1CA2SMN1; SMN2
SCHEMBL3861146 0.85 MAOB (0.81) NFKB1CYP1A2TSHRMAOBKMT2A
SCHEMBL16677166 0.85 NPC1 (0.61) NPC1RAB9ACA1CA2NFKB1
SCHEMBL31493840 0.85 NPC1 (0.61) NPC1RAB9ACA1CA2NFKB1
SCHEMBL7558651 0.84 SMYD3 (0.56) NPC1RAB9ACA1CA2NFKB1
SCHEMBL9489987 0.84 NPC1 (1.00) NPC1RAB9ACA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119163-A Low-hemolytic cationic lipid and application thereof 郑州大学 2024-12-13 CN disclosed
CN-118697890-A High-concentration nanoparticle gel and preparation method thereof 郑州大学 2024-09-27 CN disclosed
WO-2023102477-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-08 WO disclosed
CN-114163547-B Pharmaceutical composition for mild photothermal treatment of tumor as well as preparation method and application thereof 中国药科大学 2023-05-30 CN disclosed
US-20220378936-A1 DELIVERY SYSTEM COMPLEXES COMPRISING A PRECIPITATE OF AN ACTIVE AGENT AND METHODS OF USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-12-01 US disclosed
US-11510988-B2 Targeting aminoacid lipids MERCK PATENT GMBH (DE) 2022-11-29 US disclosed
EP-4041314-A1 DELIVERY SYSTEM COMPLEXES COMPRISING A PRECIPITATE OF AN ACTIVE AGENT AND METHODS OF USE The University of North Carolina at Chapel Hill (US) 2022-08-17 EP disclosed
CN-114746124-A Delivery system complexes comprising active agent precipitates and methods of use 北卡罗来纳-查佩尔山大学 2022-07-12 CN disclosed
CN-112390751-B Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2022-07-05 CN disclosed
CN-114163547-A Pharmaceutical composition for mild photothermal treatment of tumors and preparation method and application thereof 中国药科大学 2022-03-11 CN disclosed
CN-104168888-A Targeting aminoacid lipids MERCK PATENT GMBH 2014-11-26 CN disclosed
CN-104168887-A Amino acid lipids MERCK PATENT GMBH 2014-11-26 CN disclosed
WO-2013135360-A1 AMINOACID LIPIDS MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
WO-2013135359-A1 TARGETING AMINOACID LIPIDS MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
WO-2013135360-A1 AMINOACID LIPIDS MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
WO-2013135359-A1 TARGETING AMINOACID LIPIDS MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO 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 (2 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-20220378936-A1 DELIVERY SYSTEM COMPLEXES COMPRISING A PRECIPITATE OF AN ACTIVE AGENT AND METHODS OF USE SLC46A1, DPYD, FOLR2 NPC1 3482/4885RAB9A 2284/4885CA1 201/4885
US-11510988-B2 Targeting aminoacid lipids PTDSS2, DNPEP, FABP1 NPC1 495/4885RAB9A 2079/4885CA1 934/4885

“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.