SCHEMBL16633728

SCHEMBL16633728

OB(O)c1cccc(CN2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.64
MBTD1 Q05BQ5 3/20 0.64
L3MBTL1 Q9Y468 5/20 0.59
TP53BP1 Q12888 1/20 0.59
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL29956692 0.88 MBTD1 (0.50) L3MBTL3MBTD1L3MBTL1TP53BP1TSHR
SCHEMBL29955283 0.86 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2TDP1CYP2D6CYP2C9
SCHEMBL2248354 0.86 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2TDP1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2279012 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TDP1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29950873 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TDP1CYP2D6CYP2C9
SCHEMBL1724355 0.84 SMN1; SMN2 (0.60) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1
Hydrochloric Acid SCHEMBL29955383 0.83 SMN1; SMN2 (0.58) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1
SCHEMBL26488577 0.81 ACHE (0.59) ENPP2HRH3
SCHEMBL6212951 0.78 L3MBTL3 (0.66) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1
SCHEMBL23682918 0.78 L3MBTL3 (1.00) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1

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
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 L3MBTL3 2773/4885MBTD1 2635/4885L3MBTL1 2863/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 L3MBTL3 2773/4885MBTD1 2635/4885L3MBTL1 2863/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 L3MBTL3 2876/4885MBTD1 2729/4885L3MBTL1 2970/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 L3MBTL3 2773/4885MBTD1 2635/4885L3MBTL1 2863/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 L3MBTL3 2773/4885MBTD1 2635/4885L3MBTL1 2863/4885

“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.