SCHEMBL29549686

SCHEMBL29549686

CCCCCCCCCCCC[n+]1c(-c2ccccc2)n(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ERAP1 Q9NZ08 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
RAD52 P43351 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RGS12 O14924 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.40
APAF1 O14727 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
Iodide SCHEMBL5146457 0.99 PTPN1 (0.47) PTPN1ERAP1KDM4EHTTMEN1
SCHEMBL11117719 0.90 PTPN1 (0.38) PTPN1ERAP1KDM4EHTTMEN1
SCHEMBL29737346 0.85 ERAP1 (0.40) PTPN1ERAP1KDM4EHTTMEN1
Tromethamine SCHEMBL21635527 0.82 PTPN1 (0.33) PTPN1ERAP1KDM4EHTTMAPT
Bromide SCHEMBL10607709 0.79 PTPN1 (0.42) PTPN1ERAP1KDM4EHTTMEN1
SCHEMBL15157507 0.78 PTPN1 (0.56) PTPN1ERAP1KDM4EHTTMEN1
Iodide SCHEMBL5143882 0.77 PTPN1 (0.58) PTPN1ERAP1KDM4EHTTMEN1
SCHEMBL29073229 0.77 ERAP1 (0.52) ERAP1KDM4EHTTMEN1KMT2A
SCHEMBL29737321 0.77 ERAP1 (0.52) ERAP1KDM4EHTTMEN1KMT2A
SCHEMBL10028744 0.77 PTPN1 (0.48) PTPN1KDM4EHTTMEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025121436-A1 BICYCLIC HETEROCYCLIC COMPOUND AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2025-06-12 WO disclosed
US-20250143305-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2025-05-08 US disclosed
US-12114658-B2 Compounds having a nitrogen-containing unsaturated six-membered ring and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2024-10-15 US disclosed
EP-3611164-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2024-08-28 EP disclosed
US-20240237639-A1 COMPOSITION WITH ENHANCED PLANT DISEASE CONTROL EFFECT AND RAINFASTNESS OF D-TAGATOSE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2024-07-18 US disclosed
EP-4349169-A1 COMPOSITION HAVING ENHANCED D-TAGATOSE PLANT-BLIGHT-CONTROLLING EFFECT AND RAIN RESISTANCE Mitsui Chemicals Crop & Life Solutions, Inc. (JP) 2024-04-10 EP disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
EP-3828177-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-11-29 EP disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
WO-2022255398-A1 COMPOSITION HAVING ENHANCED D-TAGATOSE PLANT-BLIGHT-CONTROLLING EFFECT AND RAIN RESISTANCE 三井化学アグロ株式会社 2022-12-08 WO disclosed
WO-2022250069-A1 SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2022-12-01 WO disclosed
EP-3611166-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS AGRO INC (JP) 2022-09-21 EP disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-20220167620-A1 AGROCHEMICAL COMPOSITION WITH ENHANCED EFFICACY MITSUI CHEMICALS AGRO, INC. (JP) 2022-06-02 US disclosed
EP-3954215-A1 AGROCHEMICAL COMPOSITION WITH STRENGTHENED EFFICACY Mitsui Chemicals Agro, Inc. (JP) 2022-02-16 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 (2 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-20250143305-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT HDAC11, AADAC, CTRL PTPN1 1018/4885ERAP1 2493/4885KDM4E 1425/4885
US-12114658-B2 Compounds having a nitrogen-containing unsaturated six-membered ring and agricultural and horticultural fungicides containing the same as active ingredients CYP51A1, NOS1, ERG28 PTPN1 1916/4885ERAP1 589/4885KDM4E 2297/4885

“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.