SCHEMBL3676320

SCHEMBL3676320

COc1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.73
MAPT P10636 5/20 0.73
ALDH1A1 P00352 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 2/20 0.71
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
NPC1 O15118 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
HDAC1 Q13547 1/20 0.65
LMNA P02545 2/20 0.63
GAA P10253 1/20 0.60

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
SCHEMBL8605379 0.94 RAB9A (0.72) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL16562210 0.89 KMT2A (0.78) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL10954317 0.87 KMT2A (0.71) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL31329284 0.85 ALDH1A1 (0.69) RAB9AMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL6584735 0.85 RAB9A (0.74) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL16560992 0.85 KMT2A (0.74) RAB9AMAPTALDH1A1HTTKMT2A
SCHEMBL15648214 0.85 FPR2 (0.67) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL12059018 0.85 MAPT (0.71) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL17148381 0.85 RAB9A (0.61) RAB9AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL6171613 0.84 RAB9A (1.00) RAB9AMAPTALDH1A1SMN1; SMN2KMT2A

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-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN claimed
CN-115385877-B Dihydrofuran-2-one compound and preparation method thereof 嘉兴学院 2024-02-23 CN disclosed
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN disclosed
CN-109796423-B Method for synthesizing 1, 3-thiazine-4-ketone under metal-free catalysis condition 温州大学 2022-11-11 CN disclosed
CN-110054597-B Thiazolidine-4-ketone derivative synthesized under condition of no metal catalyst and preparation method thereof 温州大学 2022-11-08 CN disclosed
CN-111217694-B Method for selectively reducing carbon-carbon double bond in alpha, beta-unsaturated carbonyl compound 五邑大学 2022-09-30 CN disclosed
CN-110066254-B Preparation method of isothiazole-3-ketone compound 温州大学 2021-03-19 CN disclosed
CN-111217694-A method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound 五邑大学 2020-06-02 CN disclosed
EP-1898910-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
EP-2821389-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP Kyushu University, National University Corporation (JP) 2015-01-07 EP disclosed
WO-2014011663-A1 INHIBITORS OF BACTERIAL DIGUANYLATE CYCLASE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2014-01-16 WO disclosed
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2013-01-31 US disclosed
US-20100204270-A1 Quinoline Derivatives as Antibacterial Agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-12 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-20100204270-A1 Quinoline Derivatives as Antibacterial Agents NQO2, NDUFB7, NQO1 RAB9A 988/4885MAPT 334/4885ALDH1A1 1171/4885
US-20130030017-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, NDUFB7, NDUFA7 RAB9A 109/4885MAPT 379/4885ALDH1A1 1777/4885
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 RAB9A 1889/4885MAPT 3708/4885ALDH1A1 732/4885

“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.