SCHEMBL119671

SCHEMBL119671

O=C(NC1CC1)c1ccc(B(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.54
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMYD3 Q9H7B4 3/20 0.51
LMNA P02545 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL29957728 0.93 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL384423 0.93 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL531915 0.91 NPC1 (0.66) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL15299247 0.89 NAMPT (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19869658 0.86 SLC6A5 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20850172 0.82 NPC1 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7305442 0.81 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL148956 0.80 NPC1 (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1477302 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6569206 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710668-B Condensed azines for EP300 or CBP modulation and indications thereof OPNA生物公司 2025-01-07 CN disclosed
CN-117285523-A Apigenin derivative and application thereof in resisting tumors 中南大学 2023-12-26 CN disclosed
CN-115160277-B Apigenin derivative and application thereof 中南大学 2023-11-07 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115160277-A Apigenin derivative and application thereof 中南大学 2022-10-11 CN disclosed
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor OPNA IMMUNO-ONCOLOGY SA (CH) 2022-09-20 US disclosed
EP-3953351-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2022-02-16 EP disclosed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
CN-113710668-A Condensed azines for EP300 or CBP modulation and indications therefor 普莱希科公司 2021-11-26 CN disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-08 US disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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 (8 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC RAB9A 2056/4885NPC1 1260/4885SMN1; SMN2 2264/4885
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, TSLP, IFNG RAB9A 2928/4885NPC1 1672/4885SMN1; SMN2 4726/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 RAB9A 2978/4885NPC1 2438/4885SMN1; SMN2 3137/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP RAB9A 4102/4885NPC1 2905/4885SMN1; SMN2 709/4885
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor EP300, CREBBP, HDAC11 RAB9A 4528/4885NPC1 1461/4885SMN1; SMN2 2533/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885NPC1 2180/4885SMN1; SMN2 1840/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 RAB9A 2097/4885NPC1 2496/4885SMN1; SMN2 3309/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 RAB9A 4529/4885NPC1 1410/4885SMN1; SMN2 2517/4885

“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.