SCHEMBL104340

SCHEMBL104340

CC(C)c1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CASP1 P29466 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 5/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ALOX12 P18054 2/20 0.47
HTT P42858 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CA5A P35218 1/20 0.47

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
SCHEMBL30349751 1.00 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA1
Hydrochloric Acid SCHEMBL27725146 0.98 CYP3A4 (0.50) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL28873267 0.89 ALDH1A1 (0.44) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL13524553 0.87 MAOA (0.56) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL23818485 0.86 ALDH1A1 (0.47) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL272384 0.85 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL17073473 0.85 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL17064379 0.83 CA1 (0.55) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL2023304 0.83 CYP3A4 (0.50) CYP3A4CASP1RECQLALDH1A1CA1
SCHEMBL3476361 0.83 CYP3A4 (0.50) CYP3A4CASP1RECQLALDH1A1CA1

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 1803 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101521-A High-performance silicon oxide etching solution 湖北兴福电子材料股份有限公司 2024-12-10 CN claimed
CN-113444125-B Phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2024-01-26 CN claimed
CN-114308122-B Quaternary ammonia base phase transfer catalyst, preparation method and application thereof in preparation of 1, 3-di (2-hydroxyisopropyl) benzene 万华化学集团股份有限公司 2023-12-29 CN claimed
CN-114308122-A Quaternary ammonia base phase transfer catalyst, preparation method and application thereof in preparation of 1, 3-di (2-hydroxy isopropyl) benzene 万华化学集团股份有限公司 2022-04-12 CN claimed
CN-113444125-A Novel phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2021-09-28 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-106187779-B A kind of method for synthesizing aromatic nitro compound 常州大学 2018-06-26 CN claimed
CN-108080236-A A kind of method for promoting desulfurizing dust-collector shell corrosion resistance 安徽雷萨重工机械有限公司 2018-05-29 CN claimed
CN-108004765-A A kind of preparation method of antifouling fishing net 巢湖市翔宇渔具有限公司 2018-05-08 CN claimed
CN-107897178-A A kind of preparation method of anti-bacteria stainless steel 五河县黄淮粮油机械有限公司 2018-04-13 CN claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
CN-1251759-C Biological degradable injectable bracket of modified hydrogel for use in cartilage tissue engineering UNIV TSINGHUA (CN) 2006-04-19 CN claimed
CN-1432053-A Activator composition for cyanoacrylate adhesives LOCTITE R & D LTD (IE) 2003-07-23 CN claimed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CYP3A4 4667/4885CASP1 1091/4885RECQL 3379/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CYP3A4 906/4885CASP1 336/4885RECQL 649/4885

“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.