Sugi Predict

Sugi Predict / Compounds / SCHEMBL3277693

SCHEMBL3277693

SCHEMBL3277693

Nc1nc(-c2cc(Cl)ccc2O)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ CYP19A1 P11511 1/20 0.61
▸ TYR P14679 1/20 0.58
▸ AGPAT2 O15120 2/20 0.50
▸ LTA4H P09960 2/20 0.47
▸ IDO1 P14902 2/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ AMY1A P0DUB6 1/20 0.45
▸ MPL P40238 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL1800878 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETYRAGPAT2LTA4H
SCHEMBL1802577 0.81 MPL (0.65) ALDH1A1KDM4ECYP19A1TYRLTA4H
SCHEMBL29519297 0.79 AMY1A (0.61) ALDH1A1KDM4ETYRLTA4HAMY1A
SCHEMBL129994 0.79 AMY1A (0.61) ALDH1A1KDM4ETYRLTA4HAMY1A
Bromide SCHEMBL8355183 0.78 AMY1A (0.59) ALDH1A1KDM4ETYRLTA4HAMY1A
SCHEMBL12647588 0.78 TYR (0.60) ALDH1A1KDM4ETYRLTA4HIDO1
SCHEMBL6637678 0.78 LTA4H (0.65) ALDH1A1KDM4ETYRLTA4HMKNK1
SCHEMBL1801511 0.77 MPL (0.63) ALDH1A1KDM4ETYRLTA4HAMY1A
SCHEMBL29654042 0.76 KDM4E (0.57) ALDH1A1KDM4ECYP19A1TYRAGPAT2
SCHEMBL1915457 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EAGPAT2LTA4HSMN1; SMN2

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-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 — — CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 — — CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 — — CN disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 — — US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 — — US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 — — US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 — — US disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN 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

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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 ALDH1A1 3396/4885KDM4E 1319/4885CYP19A1 2144/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 ALDH1A1 469/4885KDM4E 3430/4885CYP19A1 776/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ALDH1A1 364/4885KDM4E 1835/4885CYP19A1 8/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT ALDH1A1 296/4885KDM4E 1633/4885CYP19A1 6/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 ALDH1A1 1959/4885KDM4E 1369/4885CYP19A1 1192/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 340/4885KDM4E 1821/4885CYP19A1 6/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 362/4885KDM4E 1698/4885CYP19A1 4/4885

“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.