SCHEMBL519951

SCHEMBL519951

Nc1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.59
MAPT P10636 3/20 0.58
KIF11 P52732 5/20 0.47
GSK3B P49841 1/20 0.46
PKM P14618 2/20 0.45
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL31231828 1.00 CA9 (0.59) CA9MAPTKIF11GSK3BPKM
Methane SCHEMBL28577463 0.98 CA9 (0.57) CA9MAPTKIF11GSK3BPKM
SCHEMBL736368 0.89 CA9 (0.73) CA9MAPTKIF11PKMALDH1A1
Hydrochloric Acid SCHEMBL17544899 0.87 CA9 (0.71) CA9MAPTKIF11PKMALDH1A1
SCHEMBL995002 0.86 CA9 (0.80) CA9MAPTKIF11PKMNPC1
Methane SCHEMBL28569951 0.84 CA9 (0.77) CA9MAPTKIF11PKMALDH1A1
SCHEMBL22660 0.79 AHR (0.61) CA9GAACYP1A2CYP11B1CYP11B2
SCHEMBL3627854 0.79 IDO1 (0.58) MAPTKIF11GSK3BPKMIDO1
SCHEMBL2407068 0.79 MAPT (0.58) MAPTKIF11GSK3BPKMIDO1
SCHEMBL7492910 0.79 AHR (0.66) MAPTKIF11GSK3BPKMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492170-B2 Tetrahydro-1H-benzazepine compound as potassium channel modulator, preparation method and use thereof SHANGHAI ZHIMENG BIOPHARMA, INC. (CN) 2025-12-09 US disclosed
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE 2024-10-17 US disclosed
EP-4389732-A1 METHOD FOR SYNTHESIZING 5,8-DIAMINO-3,4-DIHYDRO-2H-1-NAPHTHALENONE AND INTERMEDIATE COMPOUND USED THEREIN Jiangsu Mabwell Health Pharmaceutical R&D Co., Ltd. (CN) 2024-06-26 EP disclosed
EP-3978478-B1 TETRAHYDRO-1H-BENZAZEPINE COMPOUND AS POTASSIUM CHANNEL MODULATOR, PREPARATION METHOD AND USE THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2024-02-14 EP disclosed
WO-2023109965-A1 CAMPTOTHECIN COMPOUND AND CONJUGATE THEREOF 迈威(上海)生物科技股份有限公司 2023-06-22 WO disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
WO-2023020531-A1 METHOD FOR SYNTHESIZING 5,8-DIAMINO-3,4-DIHYDRO-2H-1-NAPHTHALENONE AND INTERMEDIATE COMPOUND USED THEREIN 江苏迈威康新药研发有限公司 2023-02-23 WO disclosed
CN-115703712-A Process for the synthesis of 5,8-diamino-3,4-dihydro-2H-1-naphthalenone and intermediate compounds useful therein 江苏迈威康新药研发有限公司 2023-02-17 CN disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 US disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO 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 (7 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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL CA9 2896/4885MAPT 4424/4885KIF11 3154/4885
US-12492170-B2 Tetrahydro-1H-benzazepine compound as potassium channel modulator, preparation method and use thereof KCNB1, KCNJ2, KCNA1 CA9 4305/4885MAPT 1877/4885KIF11 1049/4885
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES PRNP, PNP, ZC3HAV1 CA9 4072/4885MAPT 496/4885KIF11 3587/4885
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 CA9 4349/4885MAPT 4056/4885KIF11 3017/4885
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors TFPI, TPSAB1, TFPI2 CA9 3191/4885MAPT 4116/4885KIF11 4473/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CA9 2906/4885MAPT 3484/4885KIF11 3980/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CA9 3103/4885MAPT 3185/4885KIF11 3943/4885

“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.