SCHEMBL2979159

SCHEMBL2979159

O=c1o[c][c]c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CTSA P10619 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL1587229 0.67 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD17B10CYP1A2HIF1A
SCHEMBL62806 0.65 PTGES (0.40) ALDH1A1MAPTSMN1; SMN2HSD17B10ELANE
SCHEMBL7330865 0.65 MAOA (0.33) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL2514183 0.64 ELANE (0.32) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL24891350 0.59 ELANE (0.61) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL868661 0.59 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL30305755 0.59 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL30966887 0.57 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL29391754 0.57 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN
SCHEMBL257 0.57 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2HSD17B10GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 EP disclosed
US-8709377-B2 Molecular hydrogen stores and hydrogen transfer reagents for hydrogenation reactions UNIVERSITAT HEIDELBERG (DE) 2014-04-29 US disclosed
US-20100172825-A1 Molecular Hydrogen Stores and Hydrogen Transfer Reagents for Hydrogenation Reactions UNIVERSITAT HEIDELBERG (DE) 2010-07-08 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 (6 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA ALDH1A1 675/4885MAPT 4512/4885SMN1; SMN2 796/4885
US-20100172825-A1 Molecular Hydrogen Stores and Hydrogen Transfer Reagents for Hydrogenation Reactions HVCN1, HHAT, HDHD5 ALDH1A1 2985/4885MAPT 1703/4885SMN1; SMN2 4681/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALDH1A1 816/4885MAPT 4675/4885SMN1; SMN2 864/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALDH1A1 754/4885MAPT 4605/4885SMN1; SMN2 845/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALDH1A1 816/4885MAPT 4675/4885SMN1; SMN2 864/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ALDH1A1 754/4885MAPT 4605/4885SMN1; SMN2 845/4885

“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.