Sugi Predict

Sugi Predict / Compounds / SCHEMBL77909

SCHEMBL77909

SCHEMBL77909

CC(C)(C)c1nc(N)sc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX12 P18054 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOS1 P29475 1/20 0.34
▸ PIK3CG P48736 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL330115 0.77 HSD17B10 (0.37) ALDH1A1HPGDMEN1MAPTKMT2A
Bromide SCHEMBL2497703 0.76 HSD17B10 (0.36) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL10242308 0.74 MEN1 (0.38) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL19486516 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMAPTHSD17B10NOS1
SCHEMBL2678408 0.74 NOS1 (0.52) ALDH1A1HPGDMAPTRAB9AHSD17B10
SCHEMBL24417705 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL21720550 0.73 MEN1 (0.37) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL20791827 0.73 ALDH1A1 (0.42) ALDH1A1HPGDNOS1PIK3CGSMN1; SMN2
SCHEMBL8032871 0.72 FBP1 (0.40) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL16751984 0.70 ALDH1A1 (0.42) ALDH1A1HPGDMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 — — US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 — — EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 — — EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 — — US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 — — EP disclosed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO disclosed
CN-105985298-A 2-[5-(halogenothiazolyl-2-yl)imino]-5-benzalthiazolinone and its preparation method and use 湖南大学 2016-10-05 — — CN disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 — — 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
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-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-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 (5 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 ALDH1A1 3440/4885HPGD 869/4885MEN1 4814/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885HPGD 2795/4885MEN1 1183/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 ALDH1A1 97/4885HPGD 738/4885MEN1 3560/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885HPGD 2795/4885MEN1 1183/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ALDH1A1 1025/4885HPGD 245/4885MEN1 4661/4885

“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.