SCHEMBL130726

SCHEMBL130726

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N2CCCCC2)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.54
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SRPK3 Q9UPE1 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
SGMS2 Q8NHU3 1/20 0.45
HSD17B10 Q99714 1/20 0.45
P2RX1 P51575 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3277363 0.89 LRRK2 (0.50) LRRK2MRGPRX4
SCHEMBL130386 0.85 LRRK2 (0.62) LRRK2SRPK3MRGPRX4SGMS2P2RX1
SCHEMBL131166 0.84 LRRK2 (0.63) LRRK2RXFP1SRPK3SGMS2P2RX1
SCHEMBL4263180 0.83 SMN1; SMN2 (0.49) LRRK2RXFP1LMNAP2RX1SMN1; SMN2
SCHEMBL127580 0.83 LRRK2 (0.59) LRRK2SRPK3MRGPRX4SGMS2P2RX1
SCHEMBL330209 0.82 LRRK2 (0.58) LRRK2SRPK3MRGPRX4SGMS2P2RX1
SCHEMBL1647089 0.82 LRRK2 (0.68) LRRK2SGMS2
SCHEMBL130387 0.81 LRRK2 (0.57) LRRK2MRGPRX4SGMS2P2RX1
SCHEMBL3278547 0.81 LRRK2 (0.67) LRRK2SRPK3MRGPRX4SGMS2P2RX1
SCHEMBL1648057 0.81 LRRK2 (0.69) LRRK2SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 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-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES 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
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 (7 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA LRRK2 2317/4885HPGD 240/4885MAPT 2581/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 LRRK2 4327/4885HPGD 738/4885MAPT 2893/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LRRK2 722/4885HPGD 272/4885MAPT 1849/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LRRK2 774/4885HPGD 238/4885MAPT 2086/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LRRK2 774/4885HPGD 238/4885MAPT 2086/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LRRK2 774/4885HPGD 238/4885MAPT 2086/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB LRRK2 1164/4885HPGD 245/4885MAPT 2435/4885

“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.