SCHEMBL2980211

SCHEMBL2980211

Cc1ccc(C#Cc2ccccc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
ALDH1A1 P00352 3/20 0.70
KDM4E B2RXH2 2/20 0.70
MEN1 O00255 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
KMT2A Q03164 2/20 0.70
NPC1 O15118 2/20 0.70
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CA12 O43570 4/20 0.57
CA2 P00918 4/20 0.57
CA9 Q16790 4/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL29428992 1.00 MAPT (0.70) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL1105474 0.89 MAPT (0.55) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29616405 0.87 CYP3A4 (0.83) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29428987 0.85 MAPT (0.95) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL28272577 0.85 CA12 (0.61) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29532077 0.83 CYP3A4 (1.00) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL929235 0.83 CYP3A4 (1.00) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29428994 0.80 MAPT (0.70) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL22118337 0.80 ALDH1A1 (0.70) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29087860 0.80 ALDH1A1 (0.70) MAPTALDH1A1KDM4EMEN1CYP1A2

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-109912809-B Non-noble metal-metal organic framework composite material, preparation method and application thereof 中国科学院福建物质结构研究所 2022-03-22 CN claimed
CN-109912809-A Base metal-metal organic framework composite material, preparation method and application 中国科学院福建物质结构研究所 2019-06-21 CN claimed
CN-116425717-B C2-site indoline derivative containing quaternary carbon center as well as preparation method and application thereof 重庆医科大学 2024-06-21 CN disclosed
CN-116425717-A C2-site indoline derivative containing quaternary carbon center as well as green preparation method and application thereof 重庆医科大学 2023-07-14 CN disclosed
CN-110642844-B 3-position indole substituted isobenzofuranone compound and preparation method thereof 郑州大学 2023-03-03 CN disclosed
CN-109912809-B Non-noble metal-metal organic framework composite material, preparation method and application thereof 中国科学院福建物质结构研究所 2022-03-22 CN disclosed
CN-109912809-A Base metal-metal organic framework composite material, preparation method and application 中国科学院福建物质结构研究所 2019-06-21 CN disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 MAPT 4724/4885ALDH1A1 631/4885KDM4E 1146/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 MAPT 4727/4885ALDH1A1 699/4885KDM4E 880/4885

“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.