SCHEMBL330331

SCHEMBL330331

Nc1cc(C(F)(F)F)ccc1N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
KDM4E B2RXH2 6/20 0.73
LMNA P02545 4/20 0.73
PKM P14618 2/20 0.59
GAA P10253 4/20 0.57
HTT P42858 3/20 0.57
S100B P04271 2/20 0.56
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KEAP1 Q14145 1/20 0.47
RAB9A P51151 2/20 0.46
KDR P35968 1/20 0.46
SRPK2 P78362 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
SRPK3 Q9UPE1 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 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
SCHEMBL1110503 0.98 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL1110535 0.98 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL997022 0.98 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL1110554 0.98 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL5494223 0.96 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL28338201 0.93 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL23850823 0.86 ALDH1A1 (0.89) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL6630046 0.86 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL6627622 0.85 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMGAA
SCHEMBL1048147 0.85 KDM4E (0.68) ALDH1A1KDM4ELMNAPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046323-A1 BENZO FIVE-MEMBERED NITROGEN RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 山东大学 2024-03-07 WO disclosed
CN-117143039-A Benzo five-membered nitrogen ring compound, preparation method and medical application thereof 山东大学 2023-12-01 CN disclosed
EP-2666481-B9 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2019-05-22 EP disclosed
EP-2666481-B9 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2019-05-22 EP disclosed
EP-2666481-B1 Method of regulating phosphorylation of sr protein and antiviral agents comprising sr protein activity regulator as the active ingredient HAGIWARA MASATOSHI (JP) 2018-11-14 EP disclosed
EP-1712242-B1 METHOD OF REGULATING PHOSPHORYLATION OF SR PROTEIN AND ANTIVIRAL AGENTS COMPRISING SR PROTEIN ACTIVITY REGULATOR AS THE ACTIVE INGREDIENT HAGIWARA MASATOSHI (JP) 2018-05-30 EP disclosed
EP-1712242-B1 METHOD OF REGULATING PHOSPHORYLATION OF SR PROTEIN AND ANTIVIRAL AGENTS COMPRISING SR PROTEIN ACTIVITY REGULATOR AS THE ACTIVE INGREDIENT HAGIWARA MASATOSHI (JP) 2018-05-30 EP disclosed
US-8816089-B2 Methods for controlling SR protein phosphorylation, and antiviral agents whose active ingredients comprise agents that control SR protein activity Hagiwara, Masatoshi (JP) 2014-08-26 US disclosed
US-8816089-B2 Methods for controlling SR protein phosphorylation, and antiviral agents whose active ingredients comprise agents that control SR protein activity Hagiwara, Masatoshi (JP) 2014-08-26 US disclosed
US-8816089-B2 Methods for controlling SR protein phosphorylation, and antiviral agents whose active ingredients comprise agents that control SR protein activity Hagiwara, Masatoshi (JP) 2014-08-26 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (1 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-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ALDH1A1 1025/4885KDM4E 3631/4885LMNA 2842/4885

“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.