Sugi Predict

Sugi Predict / Compounds / SCHEMBL1016404

SCHEMBL1016404

SCHEMBL1016404

CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.65
▸ MAPT P10636 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ HRH4 Q9H3N8 1/20 0.56
▸ PLCG2 P16885 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ CDK1 P06493 1/20 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
SCHEMBL1277489 0.85 APEX1 (0.70) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL13684585 0.85 CDK1 (0.50) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL1277858 0.83 RAB9A (0.52) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL28522107 0.83 APEX1 (0.70) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL25191965 0.83 APEX1 (0.56) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL1277556 0.82 XDH (0.50) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL2660383 0.82 XDH (0.50) APEX1MAPTRAB9ANPC1HRH4
SCHEMBL2661752 0.81 XDH (0.49) APEX1MAPTRAB9ANPC1MAPK1
SCHEMBL13735209 0.81 HRH4 (0.57) APEX1MAPTRAB9ANPC1HRH4
SCHEMBL31501839 0.81 KDM4E (0.61) MAPTRAB9ANPC1HRH4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-20 — — US disclosed
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. 2025-05-01 — — US disclosed
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-04-22 — — US disclosed
CN-119855589-A Heterocyclic PAD4 inhibitors 细胞基因公司 2025-04-18 — — CN disclosed
CN-119528915-A Compounds for inhibiting apoptosis and methods of making the same 中国科学院上海有机化学研究所 2025-02-28 — — CN disclosed
CN-115806557-B Compounds for inhibiting apoptosis and methods of making the same 中国科学院上海有机化学研究所 2025-02-14 — — CN disclosed
EP-4433477-A1 PAD4 INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2024-09-25 — — EP disclosed
CN-118679162-A PAD4 inhibitors and uses thereof 锐格药业公司 2024-09-20 — — CN disclosed
CN-113474340-B Novel isoindolinone substituted indoles and derivatives as RAS inhibitors 勃林格殷格翰国际有限公司 2024-07-23 — — CN disclosed
WO-2023230612-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 — — WO disclosed
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 — — CN disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 — — US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 — — US disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 — — WO disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 — — EP disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 — — EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 — — CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 — — EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 — — CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 — — 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 (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-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI1, PADI6 APEX1 199/4885MAPT 3093/4885RAB9A 4339/4885
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF PADI4, PADI6, PADI2 APEX1 632/4885MAPT 3307/4885RAB9A 4056/4885
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors NRAS, KRAS, RASSF5 APEX1 2459/4885MAPT 3741/4885RAB9A 75/4885

“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.