SCHEMBL4980293

SCHEMBL4980293

COC(=O)c1cc2ccccc2cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TSHR P16473 3/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CFTR P13569 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL28695553 0.96 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL9480503 0.88 CFTR (0.45) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL29438041 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL68218 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL28680568 0.84 MAPT (0.53) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL28672585 0.84 MAPT (0.57) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL8383099 0.83 PTPN11 (0.51) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL14666358 0.82 CFTR (0.53) KDM4EALDH1A1HPGDTSHRLMNA
SCHEMBL9643407 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDNPSR1SLC6A2
SCHEMBL2512793 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDNPSR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693465-B Amino compound and application thereof 浙江八亿时空先进材料有限公司 2025-05-06 CN disclosed
CN-116693465-A Amino compound and application thereof 浙江八亿时空先进材料有限公司 2023-09-05 CN disclosed
CN-113943287-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2023-02-03 CN disclosed
CN-113943287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed
CN-113943290-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-01-18 CN disclosed
EP-1363993-A4 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) BRISTOL MYERS SQUIBB CO (US) 2008-11-12 EP disclosed
EP-1325009-B1 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-6960585-B2 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-6869956-B2 Methods of treating inflammatory and immune diseases using inhibitors of IκB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-22 US disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
EP-1325009-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
US-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
WO-2002028860-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 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 (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-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same IL4, IL4I1, MSR1 KDM4E 595/4885ALDH1A1 1556/4885HPGD 2777/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB KDM4E 327/4885ALDH1A1 2991/4885HPGD 1035/4885

“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.