SCHEMBL16643752

SCHEMBL16643752

Cc1nn(C)cc1C(=O)NC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.55
ATM Q13315 1/20 0.51
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALPL P05186 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL28509439 0.81 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28510286 0.81 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28509438 0.81 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL22987577 0.80 GAA (0.59) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL8568083 0.80 GAA (0.69) GAAATMNAMPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29450056 0.79 GAA (0.58) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL2790504 0.79 GAA (0.58) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28263781 0.79 GAA (0.58) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL10073986 0.78 GAA (0.45) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL24404818 0.78 CNR1 (0.51) GAAATMNAMPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 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
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO 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 (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-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 GAA 3126/4885ATM 1396/4885NAMPT 609/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 GAA 3126/4885ATM 1396/4885NAMPT 609/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 GAA 3126/4885ATM 1396/4885NAMPT 609/4885

“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.