SCHEMBL1124165

SCHEMBL1124165

O=Cc1ccc(-n2ccnn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.59
NOTUM Q6P988 9/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
CYP19A1 P11511 1/20 0.46
KEAP1 Q14145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL10447781 0.83 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL6870744 0.82 NOTUM (0.51) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL6870749 0.82 NOTUM (0.51) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL17981459 0.81 NOTUM (0.43) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL4536618 0.79 NOTUM (0.63) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL6850789 0.78 NOTUM (0.55) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL23501721 0.75 KCNJ1 (0.62) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL1663879 0.74 KCNJ1 (1.00) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL8491479 0.74 NOTUM (0.46) KCNJ1NOTUMALDH1A1KDM4EMAPK1
SCHEMBL8491470 0.74 NOTUM (0.46) KCNJ1NOTUMALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666158-B Hybrid dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-04-07 CN disclosed
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
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
WO-2002064552-A1 1g(a)-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES NOVARTIS AG (CH) 2002-08-22 WO disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 US disclosed
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 CN disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 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-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 KCNJ1 4772/4885NOTUM 2430/4885ALDH1A1 4382/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS KCNJ1 4869/4885NOTUM 2257/4885ALDH1A1 4316/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 KCNJ1 4772/4885NOTUM 2430/4885ALDH1A1 4382/4885

“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.