Sugi Predict

Sugi Predict / Compounds / SCHEMBL94987

SCHEMBL94987

SCHEMBL94987

[CH2]N(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MAPT P10636 3/20 0.37

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
SCHEMBL94627 0.80 TP53 (0.42) TSHRALDH1A1GLACHRM2HTR1A
SCHEMBL96160 0.77 TDP1 (0.44) ALDH1A1CHRM2HTR1AADRA2ACHRM1
SCHEMBL94622 0.75 NPC1 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL28097106 0.74 LOXL2 (0.38) ALDH1A1SLC6A2SLC6A4KMT2AMAPT
SCHEMBL94909 0.73 NPC1 (0.50) OPRM1DRD3KCNH2CNR2TDP1
SCHEMBL17962525 0.73 MAOB (0.39) TSHRALDH1A1OPRM1DRD3KMT2A
SCHEMBL409370 0.72 NR3C2 (0.57) TSHRALDH1A1GLACHRM2HTR1A
SCHEMBL6860839 0.72 TSHR (0.50) TSHRALDH1A1GLACHRM2HTR1A
Diethylaniline SCHEMBL9000098 0.72 TSHR (0.70) TSHRALDH1A1GLAKMT2AMEN1
Diethylaniline SCHEMBL17594 0.72 TSHR (0.70) TSHRALDH1A1GLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440070-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES Magyar Tudományos Akadémia Természettudományi Kutatóközpont (HU) 2019-02-13 — — EP claimed
WO-2017175018-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2017-10-12 — — WO claimed
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 — — US claimed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 — — US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US claimed
JP-2011528040-A — — 2011-11-10 — — JP claimed
JP-2011528039-A — — 2011-11-10 — — JP claimed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 — — US claimed
EP-2303841-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-06 — — EP claimed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 — — EP claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US claimed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO claimed
WO-2010009166-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO claimed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO claimed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 — — US claimed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 — — WO claimed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 — — US claimed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 — — WO claimed
EP-1074544-B1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORP (JP) 2003-08-27 — — EP claimed
US-6388086-B1 REACTING W 3-METHYLPYRIDINE WITH BASE; THEN EPOXY COMPOUND KANEKA CORPORATION (JP) 2002-05-14 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 TSHR 3511/4885ALDH1A1 1714/4885GLA 1414/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 TSHR 3211/4885ALDH1A1 1787/4885GLA 720/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 TSHR 3945/4885ALDH1A1 2855/4885GLA 1621/4885
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS HDAC1, HDAC8, HDAC11 TSHR 4176/4885ALDH1A1 1388/4885GLA 838/4885

“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.