SCHEMBL5440246

SCHEMBL5440246

O=C(O)CCCn1ccnn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
FOLH1 Q04609 1/20 0.41
KDM4E B2RXH2 3/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CYP19A1 P11511 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
CYP1A1 P04798 1/20 0.39
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL5536326 0.94 TBXAS1 (0.49) TBXAS1FOLH1FABP4FABP5CYP19A1
Propionic Acid SCHEMBL28759037 0.93 KDM4E (0.41) TBXAS1FOLH1KDM4EFABP4FABP5
SCHEMBL5533757 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5536313 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5534333 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5533488 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5538144 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5538968 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5541468 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA
SCHEMBL5535357 0.93 TBXAS1 (0.51) TBXAS1FOLH1FABP4FABP5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023039947-A1 PHARMACEUTICAL COMPOSITION CONTAINING CEFOPERAZONE SODIUM AND TAZOBACTAM SODIUM AND APPLICATION THEREOF 湘北威尔曼制药股份有限公司 2023-03-23 WO claimed
US-20220324770-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2022-10-13 US claimed
EP-4025564-A1 NITRIFICATION INHIBITORS The University of Melbourne (AU) 2022-07-13 EP claimed
WO-2023039947-A1 PHARMACEUTICAL COMPOSITION CONTAINING CEFOPERAZONE SODIUM AND TAZOBACTAM SODIUM AND APPLICATION THEREOF 湘北威尔曼制药股份有限公司 2023-03-23 WO disclosed
US-20220324770-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2022-10-13 US disclosed
EP-4025564-A1 NITRIFICATION INHIBITORS The University of Melbourne (AU) 2022-07-13 EP disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
US-20070284258-A1 Method For Silver Plating DAIWA FINE CHEMICALS CO., LTD. (JP) 2007-12-13 US 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TBXAS1 556/4885FOLH1 4400/4885KDM4E 1072/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TBXAS1 556/4885FOLH1 4400/4885KDM4E 1072/4885
US-20220324770-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NIT2 TBXAS1 2178/4885FOLH1 1621/4885KDM4E 2313/4885

“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.