SCHEMBL97296

SCHEMBL97296

CN(C)c1ccccc1[C]=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
EP300 Q09472 1/20 0.38

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
SCHEMBL10532261 0.82 ALDH1A1 (0.33) ALDH1A1MAPTGAATSHRTP53
SCHEMBL7279573 0.80 MAPT (0.40) ALDH1A1MAPTGAATSHRTP53
SCHEMBL9666898 0.80 MAPT (0.40) ALDH1A1MAPTGAATSHRTP53
SCHEMBL14142621 0.80 ALDH1A1 (0.43) ALDH1A1MAPTGAATSHRTP53
SCHEMBL770158 0.80 MAPT (0.43) ALDH1A1MAPTGAATSHRTP53
SCHEMBL133465 0.80 MAPT (0.37) ALDH1A1MAPTGAATSHRTP53
SCHEMBL1980636 0.79 GAA (0.39) ALDH1A1MAPTGAATSHRTP53
SCHEMBL5167168 0.79 ALDH1A1 (0.31) ALDH1A1MAPTGAATSHRTP53
SCHEMBL2904764 0.76 MAPT (0.40) ALDH1A1MAPTGAATSHRTP53
SCHEMBL3763790 0.76 MAPT (0.40) ALDH1A1MAPTGAATSHRTP53

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 290 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621958-B Single-stranded DNA aptamer sequence for specifically recognizing ATP and application thereof 江南大学 2023-09-22 CN claimed
CN-110003835-A Anchor Agent and its preparation and application for railway maintenance 湖北坤能科技有限公司 2019-07-12 CN claimed
CN-106311328-A Method for preparing catalyst for synthesis of polyoxymethylene dimethyl ether 江苏色可赛思树脂有限公司 2017-01-11 CN claimed
CN-106257977-A Composite polyamide membrane post-treated with nitrous acid 陶氏环球技术有限责任公司 2016-12-28 CN claimed
CN-104292445-B A kind of preparation method of macromole p-(dimethylamino)-benzoic acid ester type compound 山东久日化学科技有限公司 2016-11-16 CN claimed
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN claimed
CN-104292445-A Preparation method for macromolecular p-dimethylamino benzoate compound SHANDONG JIURI CHEMICAL TECHNOLOGY CO LTD 2015-01-21 CN claimed
CN-103102314-A Benzothiazole, benzimidazole, benzoxazole derivatives and preparation method and application thereof UNIV SICHUAN 2013-05-15 CN claimed
CN-102039100-A Amphipathic graft polymer pigment dispersing agent and synthesis process thereof WUHAN INST TECHNOLOGY 2011-05-04 CN claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
CN-1323209-A Use of piperidines and/or piperazines as inhibitors of p38-alpha kinase SCIOS INC (US) 2001-11-21 CN claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
CN-1018907-B Pressure-sensitive carbon paper and production method thereof ZHU HUA (CN) 1992-11-04 CN claimed
US-4952585-A Castanospermine esters in the inhibition of tumor metastasis MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-28 US claimed
US-4908204-A Reversibly blocked plasmin, t-PA hybrid fibrinolytic enzymes and pharmaceutical compositions and anti-thrombotic use thereof BEECHAM GROUP P.L.C. (GB) 1990-03-13 US claimed
CN-1038972-A A kind of pressure-sensing carbon paper and production method thereof ZHU HUA (CN) 1990-01-24 CN claimed
EP-0155387-B1 FIBRONOLYTICALLY ACTIVE HYBRID PROTEIN, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITION BEECHAM GROUP PLC (GB) 1989-09-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK ALDH1A1 945/4885MAPT 3392/4885GAA 3853/4885

“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.