Sugi Predict

Sugi Predict / Compounds / SCHEMBL6087749

SCHEMBL6087749

SCHEMBL6087749

O=C(O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 6/20 1.00
▸ GAPDH P04406 5/20 1.00
▸ HSPA8 P11142 1/20 1.00
▸ PTPN7 P35236 8/20 0.65
▸ TDP1 Q9NUW8 7/20 0.65
▸ POLB P06746 7/20 0.65
▸ KMT2A Q03164 7/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ L3MBTL1 Q9Y468 5/20 0.65
▸ BLM P54132 4/20 0.65
▸ NR4A1 P22736 3/20 0.65
▸ PLA2G1B P04054 2/20 0.65
▸ ATG4B Q9Y4P1 2/20 0.65
▸ DNMT1 P26358 1/20 0.63
▸ CASP7 P55210 1/20 0.63
▸ CASP6 P55212 1/20 0.63
▸ CDC25B P30305 2/20 0.62
▸ MASP2 O00187 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53

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
SCHEMBL6701529 0.88 HSPA1A (0.79) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL6085506 0.82 GAPDH (0.69) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL6214848 0.81 GAPDH (0.68) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL13056448 0.79 PTPN7 (1.00) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL16706088 0.77 PTPN7 (1.00) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL13725379 0.77 HSPA1A (0.62) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL3610631 0.76 CDC25B (1.00) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL6641216 0.75 GAPDH (0.60) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL6214303 0.73 GAPDH (0.57) HSPA1AGAPDHHSPA8PTPN7TDP1
SCHEMBL6675758 0.73 GAPDH (0.56) HSPA1AGAPDHHSPA8PTPN7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 — — EP claimed
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 — — US claimed
EP-1470110-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS Grünenthal GmbH (DE) 2004-10-27 — — EP claimed
EP-1411947-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2004-04-28 — — EP claimed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 — — US claimed
WO-2003062202-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACIDS Grünenthal GmbH (DE) 2003-07-31 — — WO claimed
JP-2003522758-A — — 2003-07-29 — — JP claimed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 — — US claimed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 — — WO claimed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 — — EP claimed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 — — WO claimed
WO-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 — — WO disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 — — US disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 — — US disclosed
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2013-08-22 — — US disclosed
WO-2003062202-A2 METHOD FOR THE PRODUCTION OF SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACIDS Grünenthal GmbH (DE) 2003-07-31 — — WO disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 — — US disclosed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 — — WO disclosed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 — — EP disclosed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 — — WO 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-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 HSPA1A 2415/4885GAPDH 1982/4885HSPA8 1698/4885
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C HSPA1A 3371/4885GAPDH 1284/4885HSPA8 4627/4885
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds OPRK1, SDHA, GRIN2C HSPA1A 2266/4885GAPDH 749/4885HSPA8 3878/4885

“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.