SCHEMBL4047558

SCHEMBL4047558

Brc1ccc(-c2n[c]c[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPK13 O15264 4/20 0.36
GCGR P47871 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
MAPK14 Q16539 4/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
METAP2 P50579 1/20 0.34
ATM Q13315 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
MAPT P10636 2/20 0.34
TNKS O95271 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL4049587 0.79 ALDH1A1 (0.41) ALDH1A1MAPTTNKSTNKS2NPC1
SCHEMBL17626003 0.79 KDM4E (0.41) NR1H2NR1H3MAPK13GCGRMAPK12
SCHEMBL2652005 0.79 SMN1; SMN2 (0.38) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL403894 0.78 MTOR (0.43) NR1H2NR1H3ALDH1A1MAPTNPC1
SCHEMBL4049207 0.77 ALDH1A1 (0.47) ALDH1A1METAP2IKBKBMAPTNPC1
SCHEMBL2651838 0.75 RHEB (0.40) DGAT1MAPK13GCGRMAPK12MAPK11
SCHEMBL1119442 0.75 GFER (0.46) DGAT1TRPV1MAPK13MAPK12MAPK11
SCHEMBL2651782 0.72 DRD1 (0.42) ALDH1A1ATMMAPTNPC1RAB9A
SCHEMBL6523713 0.72 SCN2A (0.33) TRPV1ATMNPC1RAB9A
SCHEMBL1119419 0.71 SCN2A (0.33) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
CN-115379835-A Methods of treating coronavirus 维鲁公司 2022-11-22 CN disclosed
CN-114702495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-07-05 CN disclosed
CN-108473495-B Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-04-12 CN disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DGAT1 3680/4885NR1H2 1157/4885NR1H3 1234/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DGAT1 3708/4885NR1H2 1262/4885NR1H3 1346/4885

“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.