SCHEMBL528996

SCHEMBL528996

CCCc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.49
NCF1 P14598 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
MAPT P10636 1/20 0.41
ELANE P08246 1/20 0.41

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
Bromide SCHEMBL7457488 0.98 LOXL2 (0.58) LOXL2KDM4EALDH1A1GAAHPGD
Iodide SCHEMBL1343657 0.98 LOXL2 (0.58) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL2237676 0.89 LOXL2 (0.56) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL30665033 0.89 LOXL2 (0.56) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL2364501 0.87 LOXL2 (0.55) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL6114797 0.86 CYP19A1 (0.54) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL6115140 0.85 LOXL2 (0.53) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL10585446 0.85 LOXL2 (0.53) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL6114811 0.85 LOXL2 (0.53) LOXL2KDM4EALDH1A1GAAHPGD
SCHEMBL6114551 0.85 LOXL2 (0.53) LOXL2KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP claimed
CN-109651379-A One kind is containing pentaaza and/or the bicyclic diene ketone compounds of oxo dithia and its microwave solvent process for thermosynthesizing and application 中南民族大学 2019-04-19 CN claimed
EP-1300134-B1 Agent for dyeing keratinous fibres with isophthalaldehydes HENKEL KGAA (DE) 2006-04-26 EP claimed
CN-113117734-B Zeolite catalyst and process for producing lower olefin 三菱化学株式会社 2024-05-17 CN disclosed
US-11766667-B2 Zeolite catalyst and method for producing lower olefin MITSUBISHI CHEMICAL CORPORATION (JP) 2023-09-26 US disclosed
CN-115785136-A Boron-containing organic compound and application thereof 深圳市华星光电半导体显示技术有限公司 2023-03-14 CN disclosed
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 US disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
CN-113117734-A Zeolite catalyst and process for producing lower olefin 三菱化学株式会社 2021-07-16 CN disclosed
US-20210213433-A1 ZEOLITE CATALYST AND METHOD FOR PRODUCING LOWER OLEFIN MITSUBISHI CHEMICAL CORPORATION (JP) 2021-07-15 US disclosed
CN-108290144-B Zeolite catalyst and process for producing lower olefin 三菱化学株式会社 2021-04-02 CN disclosed
EP-0975602-A4 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2003-01-22 EP disclosed
US-6485890-B2 AQUEOUS DEVELOPER SOLUBLE POLYMER, SUCH AS A PHENOLIC RESIN; A COMPOUND THAT REDUCES THE AQUEOUS DEVELOPER SOLUBILITY OF THE POLYMER SUCH AS QUATERNIZED NITROGEN ATOM, SUCH AS QUINOLINIUM COMPOUNDS AND BENZOTHIAZOLIUM COMPOUNDS KODAK POLYCHROME GRAPHICS, LLC 2002-11-26 US disclosed
EP-0854879-B1 NOVEL 5-O-DEOSAMINYL 6-O-METHYL ERYTHRONOLIDE A DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BIOLOGICALLY ACTIVE MATERIALS AVENTIS PHARMA SA (FR) 2002-01-16 EP disclosed
US-6280899-B1 Relation to lithographic printing forms KODAK POLYCHROME GRAPHICS, LLC 2001-08-28 US disclosed
EP-0975602-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-02-02 EP disclosed
US-6011142-A ANTIBIOTICS HOECHST MARION ROUSSEL (FR) 2000-01-04 US disclosed
WO-1998046572-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-10-22 WO disclosed
EP-0854879-A2 NOVEL 5-O-DEOSAMINYL 6-O-METHYL ERYTHRONOLIDE A DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BIOLOGICALLY ACTIVE MATERIALS HOECHST MARION ROUSSEL (FR) 1998-07-29 EP disclosed
WO-1997013774-A2 NOVEL 5-O-DEOSAMINYL 6-O-METHYL ERYTHRONOLIDE A DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BIOLOGICALLY ACTIVE MATERIALS HOECHST MARION ROUSSEL (FR) 1997-04-17 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-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 LOXL2 1021/4885KDM4E 2796/4885ALDH1A1 789/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 LOXL2 3149/4885KDM4E 717/4885ALDH1A1 3767/4885

“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.