SCHEMBL1609941

SCHEMBL1609941

O=Cc1ccc(-n2nccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 6/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
KCNJ1 P48048 1/20 0.47
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CYP2A6 P11509 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.37

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
SCHEMBL383336 0.81 KDM4E (0.35) ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL383335 0.81 KDM4E (0.35) ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL16897435 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2KCNJ1
SCHEMBL4531684 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2TRIM24
SCHEMBL29935900 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2TRIM24
SCHEMBL8525606 0.74 CYP11B1 (0.45) ALDH1A1KDM4E
SCHEMBL18664531 0.72 KMT2A (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL20497363 0.72 KMT2A (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2NPSR1
SCHEMBL5187723 0.72 KDM4E (0.59) ALDH1A1KDM4EMAPK1SMN1; SMN2KCNJ1
SCHEMBL17085981 0.71 FBP1 (0.59) ALDH1A1MAPK1SMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
CN-108347942-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2021-09-03 CN disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-20080176916-A1 A-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES NOVARTIS AG (CH) 2008-07-24 US disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed
US-7291634-B2 α-amino-N-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2007-11-06 US disclosed
US-20060270719-A1 2-[(Cyclopropylmethoxy-benzenesulfonyl)-(4-[1,2,3]triazol-2-yl-benzyl)-amino]-N-hydroxy-acetamide; selective inhibitors of matrix-degrading metalloproteinases, especially MT1-MMP, MMP-2 and MMP-9; Osteoporosis; Antitumor, antiproliferative agents NOVARTIS AG (CH) 2006-11-30 US disclosed
US-7112611-B2 1g(α)-amino-N-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2006-09-26 US disclosed
US-20040082630-A1 1g(a)-Amino-n-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2004-04-29 US disclosed
EP-1360175-A1 1G(A)-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES Novartis AG (CH) 2003-11-12 EP disclosed
WO-2002064552-A1 1g(a)-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES NOVARTIS AG (CH) 2002-08-22 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (5 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-20060270719-A1 2-[(Cyclopropylmethoxy-benzenesulfonyl)-(4-[1,2,3]triazol-2-yl-benzyl)-amino]-N-hydroxy-acetamide; selective inhibitors of matrix-degrading metalloproteinases, especially MT1-MMP, MMP-2 and MMP-9; Osteoporosis; Antitumor, antiproliferative agents MMP9, MMP14, MMP13 ALDH1A1 678/4885KDM4E 1051/4885MAPK1 807/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 ALDH1A1 4382/4885KDM4E 1741/4885MAPK1 3138/4885
US-20080176916-A1 A-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES MMP1, MMP9, MMP14 ALDH1A1 149/4885KDM4E 1381/4885MAPK1 2146/4885
US-20040082630-A1 1g(a)-Amino-n-hydroxy-acetamide derivatives MMP1, MMP9, MMP13 ALDH1A1 85/4885KDM4E 961/4885MAPK1 1545/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 ALDH1A1 4382/4885KDM4E 1741/4885MAPK1 3138/4885

“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.