Sugi Predict

Sugi Predict / Compounds / SCHEMBL133565

SCHEMBL133565

SCHEMBL133565

NCCCCCCc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ TLR8 Q9NR97 3/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ MTNR1A P48039 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ SCN1A P35498 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR5 P35346 1/20 0.46

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
SCHEMBL4800197 1.00 SLC6A4 (0.50) SLC6A4SLC6A2TLR8HTR1BMTNR1A
SCHEMBL130648 1.00 SLC6A4 (0.50) SLC6A4SLC6A2TLR8HTR1BMTNR1A
SCHEMBL10782356 1.00 SLC6A4 (0.50) SLC6A4SLC6A2TLR8HTR1BMTNR1A
SCHEMBL131656 0.98 SLC6A4 (0.51) SLC6A4SLC6A2TLR8HTR1BMTNR1A
SCHEMBL30301302 0.98 SLC6A4 (0.51) SLC6A4SLC6A2TLR8HTR1BMTNR1A
SCHEMBL127566 0.92 HTR1B (0.52) SLC6A4SLC6A2TLR8HTR1BMTNR1A
Hydrochloric Acid SCHEMBL7361940 0.90 SSTR2 (0.53) SLC6A4SLC6A2HTR1BMTNR1ACYP1A2
Butylamine SCHEMBL28753646 0.88 TLR8 (0.57) SLC6A4SLC6A2TLR8
SCHEMBL9800436 0.88 CYP1A2 (0.58) SLC6A4SLC6A2MTNR1ACYP1A2CYP2C9
SCHEMBL11807027 0.87 CA12 (0.61) MTNR1ACYP1A2CYP2C9CYP2C19SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 — — EP disclosed
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
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
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 — — CN disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 — — US disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 — — EP disclosed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 — — US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 — — EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES 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
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
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — 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 (3 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 SLC6A4 3933/4885SLC6A2 3435/4885TLR8 102/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 SLC6A4 3553/4885SLC6A2 3375/4885TLR8 136/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB SLC6A4 4506/4885SLC6A2 4085/4885TLR8 203/4885

“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.