Sugi Predict

Sugi Predict / Compounds / SCHEMBL3313992

SCHEMBL3313992

SCHEMBL3313992

CCOC(=O)c1nc(C)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TARBP2 Q15633 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL8726638 0.87 ALDH1A1 (0.51) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL4671999 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL5731466 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL31599394 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL960280 0.83 ALDH1A1 (0.69) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL2616832 0.81 GAA (0.58) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL2829789 0.81 NPSR1 (0.50) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL10317436 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL12850213 0.80 MEN1 (0.45) ALDH1A1CYP1A2MEN1KMT2AGAA
SCHEMBL18781580 0.80 MEN1 (0.45) ALDH1A1CYP1A2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948029-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2025-05-06 — — CN disclosed
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 — — EP disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 — — CN disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 — — CN disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 — — US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 — — US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 — — US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 — — US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 — — US disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 — — US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
EP-2481725-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-08-01 — — EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 — — 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 (6 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 ALDH1A1 2782/4885CYP1A2 2172/4885MEN1 2435/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 589/4885CYP1A2 374/4885MEN1 1040/4885
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 ALDH1A1 3512/4885CYP1A2 1012/4885MEN1 1107/4885
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 ALDH1A1 2006/4885CYP1A2 1619/4885MEN1 4138/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 ALDH1A1 874/4885CYP1A2 86/4885MEN1 1170/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R ALDH1A1 589/4885CYP1A2 374/4885MEN1 1040/4885

“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.