SCHEMBL14267828

SCHEMBL14267828

CNc1ccc(C)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
APP P05067 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL5840849 0.81 CYP1A2 (0.50) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL29661835 0.80 CA12 (0.38) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11742333 0.80 CA12 (0.38) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Hydrochloric Acid SCHEMBL28901909 0.79 CYP1A2 (0.49) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL11492524 0.79 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL11526284 0.77 MAPT (0.48) NPC1RAB9ASMN1; SMN2POLBHPGD
Hydrochloric Acid SCHEMBL28652475 0.77 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL2092210 0.77 POLB (0.50) NPC1RAB9APOLBHPGDL3MBTL1
SCHEMBL29606739 0.77 POLB (0.50) NPC1RAB9APOLBHPGDL3MBTL1
SCHEMBL28484638 0.76 APP (0.38) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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
CN-102557969-B Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles USTC UNIV SCIENCE TECH CN 2015-03-18 CN claimed
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2025-10-07 US disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
WO-2020151589-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2020-07-30 WO disclosed
CN-102557969-B Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles USTC UNIV SCIENCE TECH CN 2015-03-18 CN disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 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 (3 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-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 NPC1 2376/4885RAB9A 1133/4885SMN1; SMN2 1070/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 NPC1 910/4885RAB9A 2543/4885SMN1; SMN2 3828/4885
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof RIPK1, RIPK3, RIPK4 NPC1 2376/4885RAB9A 1133/4885SMN1; SMN2 1070/4885

“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.