Sugi Predict

Sugi Predict / Compounds / SCHEMBL52174

SCHEMBL52174

SCHEMBL52174

Cc1cc(CN)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ LOXL2 Q9Y4K0 2/20 0.46
▸ DAO P14920 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MMP13 P45452 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ PNMT P11086 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL29817987 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3LOXL2DAO
SCHEMBL23903966 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAOPNMT
SCHEMBL15646799 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAOHTR2A
SCHEMBL716197 0.82 LOXL2 (0.46) SLC6A2SLC6A4SLC6A3LOXL2DAO
SCHEMBL17971122 0.81 ESR1 (0.54) SLC6A2SLC6A4SLC6A3DAOHTR2A
SCHEMBL15787307 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3DAOHTR2A
Hydrochloric Acid SCHEMBL6414548 0.80 LOXL2 (0.44) SLC6A2SLC6A4SLC6A3LOXL2DAO
SCHEMBL15787360 0.79 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAOHTR2A
Hydrochloric Acid SCHEMBL21248345 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3DAOHTR2A
SCHEMBL29895824 0.79 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAOHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410106-B Benzamide HBV capsid protein inhibitor and preparation method and application thereof 山东第二医科大学 2024-12-06 — — CN claimed
CN-116410106-A Benzamide HBV capsid protein inhibitor and preparation method and application thereof 潍坊医学院 2023-07-11 — — CN claimed
CN-111410738-A Preparation method of amine autocatalytic polyether polyol 山东蓝星东大有限公司 2020-07-14 — — CN claimed
CN-116410106-B Benzamide HBV capsid protein inhibitor and preparation method and application thereof 山东第二医科大学 2024-12-06 — — CN disclosed
WO-2024218632-A1 ERK PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-10-24 — — WO disclosed
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 — — US disclosed
WO-2024110608-A1 PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NEURALIS (BE) 2024-05-30 — — WO disclosed
CN-116410106-A Benzamide HBV capsid protein inhibitor and preparation method and application thereof 潍坊医学院 2023-07-11 — — CN disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — US disclosed
CN-111410738-B Preparation method of amine self-catalyzed polyether polyol 山东蓝星东大有限公司 2023-06-02 — — CN disclosed
CN-109251158-B Thioamidine amide compounds and use thereof for treating hepatitis B 上海长森药业有限公司 2023-05-23 — — CN disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050261322-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 — — US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 — — WO disclosed
EP-1560815-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES Aventis Pharma Deutschland GmbH (DE) 2005-08-10 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 — — US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 — — US disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 — — 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 (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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 SLC6A2 4023/4885SLC6A4 2280/4885SLC6A3 2222/4885
US-20050261322-A1 HIV integrase inhibitors TYMP, PAICS, TYMS SLC6A2 3282/4885SLC6A4 2678/4885SLC6A3 2343/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A SLC6A2 173/4885SLC6A4 208/4885SLC6A3 267/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 SLC6A2 4267/4885SLC6A4 4333/4885SLC6A3 4410/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 SLC6A2 3858/4885SLC6A4 4025/4885SLC6A3 3807/4885

“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.