SCHEMBL1043732

SCHEMBL1043732

COc1cccc(C=O)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.61
TLR2 O60603 1/20 0.61
TLR1 Q15399 1/20 0.61
TLR6 Q9Y2C9 1/20 0.61
SRC P12931 1/20 0.51
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
ADRA2B P18089 1/20 0.43

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
SCHEMBL15618978 0.84 ERN1 (0.53) ERN1TLR2TLR1TLR6SRC
SCHEMBL4628099 0.83 LMNA (0.48) ERN1TLR2TLR1TLR6SRC
SCHEMBL17023571 0.80 ERN1 (0.49) ERN1TLR2TLR1TLR6SRC
SCHEMBL9091710 0.80 CYP19A1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5047419 0.79 ERN1 (0.51) ERN1TLR2TLR1TLR6SRC
SCHEMBL27537103 0.79 ALDH1A1 (0.48) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL738533 0.79 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC
SCHEMBL30203585 0.79 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC
SCHEMBL29954368 0.79 ERN1 (0.66) ERN1TLR2TLR1TLR6SRC
SCHEMBL21834684 0.79 TLR2 (0.51) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4686366-A1 THE USE OF QUINOLIN-8-OLATE DERIVATIVES AND A DEVICE COMPRISING THE SAME Noctiluca S.A. (PL) 2026-01-28 EP disclosed
US-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. 2024-03-21 US disclosed
WO-2023161844-A1 USE OF HPK1 INHIBITOR IN TREATMENT OF INTERFERON-RELATED DISEASES 智宠制药(北京)有限公司 2023-08-31 WO disclosed
CN-113620875-B 3-nitrile quinoline derivative and preparation method thereof 郑州大学 2023-06-23 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-110746396-B Selenium-containing isoxazolidine compound and preparation method and application thereof 上海星叶医药科技有限公司 2022-07-15 CN disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
WO-2022074587-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO disclosed
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-04-07 US disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2003-05-22 US disclosed
EP-1242381-A2 2-PHENYL-QUINOLINE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001044197-A2 2-PHENYL-QUINOLINE DERIVATIVES AND THEIR USE AS CONTRACTING AGENT FOR SMOOTH MUSCLES SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 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 (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-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR OPRL1, OPRM1, CDKL5 ERN1 2608/4885TLR2 4043/4885TLR1 2397/4885
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ERN1 4880/4885TLR2 237/4885TLR1 441/4885
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 ERN1 2606/4885TLR2 668/4885TLR1 374/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ERN1 4880/4885TLR2 237/4885TLR1 441/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT ERN1 3927/4885TLR2 3564/4885TLR1 4302/4885
US-20030097000-A1 2-Phenyl-quinoline derivatives, preparation method and therapeutic use thereof CYP2F1, CYP4F2, CYP4F3 ERN1 3124/4885TLR2 2311/4885TLR1 2014/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ERN1 4874/4885TLR2 164/4885TLR1 257/4885

“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.