SCHEMBL5582783

SCHEMBL5582783

CC(=O)Nc1ccc2c(c1)OCCC2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPT P10636 3/20 0.58
BAZ2B Q9UIF8 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
AAK1 Q2M2I8 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM5 P41594 2/20 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
SCHEMBL30334729 1.00 CYP1A2 (0.63) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL12316616 0.88 CYP1A2 (0.63) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL21505562 0.86 MAOB (0.54) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL2494907 0.85 AAK1 (0.60) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL2249683 0.80 CYP1A2 (0.69) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL32670198 0.80 MAOB (0.61) NPSR1MAPTMAOAMAOBALDH1A1
SCHEMBL6207360 0.80 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL5861384 0.78 CYP1A2 (1.00) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL2245426 0.77 CYP1A2 (0.69) CYP1A2CYP2C19NPSR1MAPTBAZ2B
SCHEMBL12316629 0.75 KDM4E (0.49) CYP1A2CYP2C19NPSR1MAPTBAZ2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286904-A1 INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF BRIDGENE BIOSCIENCES, INC. 2023-09-14 US disclosed
CN-116490201-A Inhibitors of YAP/TAZ-TEAD tumor proteins, their synthesis and use 布里奇恩生物科学公司 2023-07-25 CN disclosed
WO-2022006548-A1 INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF BRIDGENE BIOSCIENCES, INC. (US) 2022-01-06 WO disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed
EP-0357788-B1 PYRIDAZINONE DERIVATIVES NIPPON SODA CO (JP) 1993-11-03 EP disclosed
US-5110925-A Cardiotonic agents NIPPON SODA CO., LTD. (JP) 1992-05-05 US disclosed
EP-0357788-A1 PYRIDAZINONE DERIVATIVES. NIPPON SODA CO (JP) 1990-03-14 EP disclosed
WO-1989007594-A1 PYRIDAZINONE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1989-08-24 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 (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-20230286904-A1 INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF TEAD1, TEAD2, TEAD3 CYP1A2 4117/4885CYP2C19 4316/4885NPSR1 4740/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 CYP1A2 1433/4885CYP2C19 1595/4885NPSR1 29/4885
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CYP1A2 2365/4885CYP2C19 1044/4885NPSR1 322/4885

“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.