SCHEMBL330133

SCHEMBL330133

O=C(Nc1cccc(C(F)(F)F)c1)c1cc(I)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.73
TMPRSS4 Q9NRS4 2/20 0.73
SLC2A1 P11166 1/20 0.73
P2RX4 Q99571 1/20 0.73
P2RX7 Q99572 1/20 0.73
RXFP1 Q9HBX9 12/20 0.60
HDAC3 O15379 1/20 0.60
EGFR P00533 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
PTGS1 P23219 1/20 0.59
MAPT P10636 1/20 0.58

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
SCHEMBL130929 0.88 P2RX1 (0.74) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL5496719 0.87 RXFP1 (0.60) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL29386800 0.84 TMPRSS4 (1.00) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL17774842 0.84 P2RX1 (0.73) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL330629 0.84 TMPRSS4 (1.00) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL14394718 0.84 P2RX1 (0.78) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL330388 0.84 TMPRSS4 (0.78) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
Salfluverine SCHEMBL2700016 0.83 P2RX1 (1.00) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL4926845 0.82 TMPRSS4 (0.70) P2RX1TMPRSS4SLC2A1P2RX4P2RX7
SCHEMBL23419298 0.80 P2RX1 (0.69) P2RX1TMPRSS4SLC2A1P2RX4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN claimed
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
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN 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
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN 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-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US disclosed
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 CN disclosed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 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
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN 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
US-4010252-A POLYQUATERNARY AMMONIUM COMPOUND, DEODORANTS COLGATE-PALMOLIVE COMPANY (US) 1977-03-01 US 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 (6 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1459/4885TMPRSS4 1813/4885SLC2A1 2505/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885SLC2A1 2442/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885SLC2A1 2442/4885
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives CCNY, HDGF, GLI1 P2RX1 4778/4885TMPRSS4 2196/4885SLC2A1 174/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885TMPRSS4 1647/4885SLC2A1 2442/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885TMPRSS4 3292/4885SLC2A1 2381/4885

“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.