Sugi Predict

Sugi Predict / Compounds / SCHEMBL5206322

SCHEMBL5206322

SCHEMBL5206322

Cc1ccc(O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ TSHR P16473 7/20 0.47
▸ MCL1 Q07820 1/20 0.45
▸ GPR35 Q9HC97 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ S100A4 P26447 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27812647 0.87 GPR35 (0.50) ALDH1A1TDP1TSHRMCL1GPR35
SCHEMBL2881308 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRMCL1GPR35
SCHEMBL28740174 0.83 ALDH1A1 (0.54) ALDH1A1TDP1TSHRMCL1GPR35
SCHEMBL6858240 0.83 MCL1 (0.49) ALDH1A1TDP1TSHRMCL1GPR35
SCHEMBL3192684 0.82 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL258792 0.82 GPR35 (0.55) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL11510078 0.80 GPR35 (0.53) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL5200982 0.80 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMCL1GPR35
Ammonia Solution, Strong SCHEMBL28335602 0.80 GPR35 (0.53) ALDH1A1TDP1TSHRGPR35CYP3A4
SCHEMBL27677603 0.80 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMCL1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126879-B1 N-PHENYL SUBSTITUTED INDOLE DERIVATIVES AS MYT1 INHIBITORS FOR THE TREATMENT OF CANCER REPARE THERAPEUTICS INC (CA) 2026-01-21 — — EP disclosed
US-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use REPARE THERAPEUTICS INC. (CA) 2025-10-07 — — US disclosed
EP-4624471-A1 PKMYT1 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2025-10-01 — — EP disclosed
CN-119731177-A Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2025-03-28 — — CN disclosed
US-20250092052-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2025-03-20 — — US disclosed
CN-119371419-A PKMYT1 kinase inhibitors 杭州邦顺制药有限公司 2025-01-28 — — CN disclosed
WO-2025007784-A1 HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-01-09 — — WO disclosed
WO-2024166131-A1 HETEROARYL COMPOUNDS AS PKMYT1 INHIBITORS SATYARX PHARMA INNOVATIONS PRIVATE LIMITED (IN) 2024-08-15 — — WO disclosed
CN-118480049-A PKMYT1 inhibitor and preparation method and application thereof 南京同诺康医药科技有限公司 2024-08-13 — — CN disclosed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 — — US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 — — EP disclosed
US-4704401-A HYPOTENSIVE AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-11-03 — — US disclosed
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 — — US disclosed
EP-0076221-B1 PROCESS FOR THE ETHERIFICATION OF PHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-05-02 — — EP disclosed
US-4487779-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1984-12-11 — — US disclosed
EP-0037353-B1 PROCESS FOR THE ETHERIFICATION OF PHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-06-08 — — EP disclosed
EP-0076221-A1 Process for the etherification of phenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-04-06 — — EP disclosed
EP-0046719-A1 Process for the etherification of phenols RHONE-POULENC INDUSTRIES (FR) 1982-03-03 — — EP disclosed
EP-0037353-A1 Process for the etherification of phenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-10-07 — — EP disclosed
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 — — US 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-12435090-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use PLK1, CSNK1A1, CSNK1G1 ALDH1A1 4093/4885TDP1 677/4885TSHR 2951/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A ALDH1A1 1899/4885TDP1 143/4885TSHR 3884/4885
US-20250092052-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF CCNE1, CCNT2, WEE1 ALDH1A1 4148/4885TDP1 1199/4885TSHR 4565/4885

“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.