SCHEMBL397554

SCHEMBL397554

N#CCc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
FDPS P14324 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ATR Q13535 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL30154647 1.00 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL1827284 0.98 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
Ammonia Solution, Strong SCHEMBL28847189 0.98 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
SCHEMBL28415288 0.88 MMP3 (0.41) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
SCHEMBL10566951 0.87 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
SCHEMBL13050518 0.82 ALDH1A1 (0.40) ALDH1A1HPGDL3MBTL1CYP3A4ALOX15
SCHEMBL29809738 0.82 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL1945874 0.82 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL5200637 0.79 CYP3A4 (0.50) ALDH1A1HPGDL3MBTL1CYP3A4SMN1; SMN2
SCHEMBL10948855 0.78 CYP1A2 (0.56) ALDH1A1HPGDCYP3A4SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119069802-A Lithium-sulfur battery electrolyte composition, lithium-sulfur battery and application 北京理工大学 2024-12-03 CN claimed
CN-118239879-A Method for preparing 3-substituted oxindole, dihydroisoindigo and tetra-substituted ethane based on primary amine and application of primary amine 泰山学院 2024-06-25 CN claimed
CN-115197135-B Method for preparing polysubstituted quinoline compound by zinc catalysis 鲁东大学 2023-09-19 CN claimed
CN-116239483-A Green synthesis method of phenylglycine 江西兄弟医药有限公司 2023-06-09 CN claimed
CN-115197135-A Method for preparing polysubstituted quinoline compound by zinc catalysis 鲁东大学 2022-10-18 CN claimed
CN-115093347-A Hapten for detecting cypermethrin content and application thereof 云南省烟草质量监督检测站 2022-09-23 CN claimed
CN-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN claimed
CN-112724349-A Novel polymers and uses thereof 立邦涂料(中国)有限公司 2021-04-30 CN claimed
EP-3250572-B1 SUBSTITUTED IMIDAZO [1, 2-A]PYRIDIN-2-YLAMINE COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF SHANGHAI FUDAN ZHANGJIANG BIO PHARMACEUTICAL CO LTD (CN) 2020-08-26 EP claimed
CN-110498823-A A kind of synthetic method of 6 \"-N- ethyl Gentamicin C1as WUXI JIMIN KEXIN SHANHE PHARM 2019-11-26 CN claimed
EP-2190285-A1 BIOACTIVE ANILINE COPOLYMERS AUCKLAND UNISERVICES LIMITED (NZ) 2010-06-02 EP claimed
WO-2010048066-A2 ELECTRICALLY CONDUCTIVE COMPOSITE MATERIAL AND THERMOELECTRIC DEVICE USING ELECTRICALLY CONDUCTIVE POLYMER MATERIAL 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-04-29 WO claimed
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides BAYER CROPSCIENCE AG (DE) 2009-06-04 US claimed
WO-2009041837-A1 BIOACTIVE ANILINE COPOLYMERS AUCKLAND UNISERVICES LIMITED (NZ) 2009-04-02 WO claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
EP-1412334-A1 PYRAZOLINE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-04-28 EP claimed
WO-2003010148-A1 PYRAZOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 WO claimed
CN-1262618-A NF-KB inhibitors containing as active ingredient phenylmethyl benzoquinone SUNTORY LTD (JP) 2000-08-09 CN claimed
WO-1999065902-A1 METHOD FOR PRODUCING 2,4-DIMETHYLCARBOLINE AND 2,4-DIMETHYLPYRIMIDO[1,2-a]INDOLE BAYER AKTIENGESELLSCHAFT (DE) 1999-12-23 WO claimed
US-3998786-A USEFUL FOR PREPARING COATINGS UNIVERSITY OF NOTRE DAME DU LAC (US) 1976-12-21 US 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-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides DDT, CHRM1, CHRM2 ALDH1A1 990/4885HPGD 2473/4885L3MBTL1 427/4885

“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.