SCHEMBL417382

SCHEMBL417382

CC(C)(C)c1ccc(-c2nnc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ RARB P10826 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL15032888 0.79 KIF11 (0.49) KIF11
SCHEMBL969435 0.74 SMN1; SMN2 (0.44) NPC1RAB9AKDM4ETNKSTNKS2
SCHEMBL158909 0.74 ATM (0.39) XDHNPC1RAB9ATNKSTNKS2
SCHEMBL10866586 0.73 MAPT (0.44) KIF11NPC1RAB9AKDM4EALDH1A1
SCHEMBL22080186 0.73 TP53 (0.44) HDAC6NISCHALDH1A1TP53KMT2A
SCHEMBL31634231 0.70 TRPA1 (0.35) —
Hydrochloric Acid SCHEMBL5013473 0.69 HDAC6 (0.44) HDAC6NPC1RAB9AKDM4EALDH1A1
SCHEMBL23912330 0.69 CYP2A6 (0.35) KIF11KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL270345 0.69 XDH (0.47) KIF11HDAC6XDHNPC1RAB9A
SCHEMBL416514 0.69 HDAC6 (0.56) KIF11HDAC6XDHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655922-B Using In 3+ Wavelength tuning of ZnSe quantum dots with salts as dopants 昭荣化学工业株式会社 2024-02-27 — — CN claimed
CN-106816545-B Quantum dot light-emitting diode, manufacturing method thereof, array substrate and display device 京东方科技集团股份有限公司 2021-03-02 — — CN claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US claimed
CN-112909192-B Electroluminescent device, preparation method thereof, display panel and display equipment 京东方科技集团股份有限公司 2025-01-24 — — CN disclosed
CN-119277889-A Display substrate and display device 京东方科技集团股份有限公司 2025-01-07 — — CN disclosed
CN-113097402-B Organic electroluminescent device, preparation method thereof and display panel 京东方科技集团股份有限公司 2024-04-16 — — CN disclosed
CN-110655922-B Using In 3+ Wavelength tuning of ZnSe quantum dots with salts as dopants 昭荣化学工业株式会社 2024-02-27 — — CN disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022160875-A1 FUNCTIONAL MATERIAL, LIGHT EMITTING SUBSTRATE AND PREPARATION METHOD THEREFOR, AND LIGHT EMITTING APPARATUS 京东方科技集团股份有限公司 2022-08-04 — — WO disclosed
CN-106816545-B Quantum dot light-emitting diode, manufacturing method thereof, array substrate and display device 京东方科技集团股份有限公司 2021-03-02 — — CN disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KIF11 3066/4885HDAC6 767/4885XDH 2293/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 KIF11 3930/4885HDAC6 3602/4885XDH 617/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KIF11 3066/4885HDAC6 767/4885XDH 2293/4885

“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.

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